SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:255])([H:256])[H:257])([H:253])[H:254])([H:251])[H:252])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])=[O:27])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H][C:26]([H])([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:255])([H:256])[H:257])([H:253])[H:254])([H:251])[H:252])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])[O:27][H]
Derived Operators
EVODEX.1-F47 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -32 |
EVODEX.1-M211 - Mass Difference
-763.0841599999999
EVODEX.1-E534 - Reaction Operator E
[#6:27]-[#6:28](=[#8:29])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:27]-[#6:28](-[#8:29]-[H])(-[H])-[H]
EVODEX.1-C235 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:17]=[#8:18])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6:17](-[H])-[#8:18]-[H]
EVODEX.1-N219 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:17](-[#6:15])=[#8:18])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6:17](-[H])(-[#6:15])-[#8:18]-[H]
EVODEX.1-Em310 - Reaction Operator Em
[#6]-[#16]-[#6:17](-[#6:15])=[#8:18]>>[H]-[#6:17](-[H])(-[#6:15])-[#8:18]-[H]
EVODEX.1-Nm303 - Reaction Operator Nm
[#6]-[#16]-[#6:17](-[#6:15])=[#8:18]>>[H]-[#6:17](-[H])(-[#6:15])-[#8:18]-[H]
Source Full Reactions
EVODEX.1-R714
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26](=[O:27])[S:28][C:29]([C:30]([N:31]([C:32](=[O:33])[C:34]([C:35]([N:36]([C:37](=[O:38])[C@:39]([O:40][H:172])([C:41]([C:42]([H:173])([H:174])[H:175])([C:43]([H:176])([H:177])[H:178])[C:44]([O:45][P:46](=[O:47])([O:48][H:179])[O:49][P:50](=[O:51])([O:52][H:180])[O:53][C:54]([C@@:55]1([H:181])[O:56][C@:57]([N:58]2:[C:59]([H:182]):[N:60]:[C:61]3:[C:62]([N:63]([H:183])[H:184]):[N:64]:[C:65]([H:185]):[N:66]:[C:67]:2:3)([H:186])[C@@:68]([O:69][H:187])([H:188])[C@@:70]1([O:71][P:72](=[O:73])([O:74][H:189])[O:75][H:190])[H:191])([H:192])[H:193])([H:194])[H:195])[H:196])[H:197])([H:198])[H:199])([H:200])[H:201])[H:202])([H:203])[H:204])([H:205])[H:206])([H:207])[H:208])([H:209])[H:210])([H:211])[H:212])([H:213])[H:214])([H:215])[H:216])([H:217])[H:218])([H:219])[H:220])([H:221])[H:222])([H:223])[H:224])([H:225])[H:226])([H:227])[H:228])([H:229])[H:230])([H:231])[H:232])([H:233])[H:234])([H:235])[H:236])([H:237])[H:238])([H:239])[H:240])([H:241])[H:242])([H:243])[H:244])([H:245])[H:246])([H:247])[H:248])([H:249])[H:250])([H:251])[H:252])([H:253])[H:254])([H:255])([H:256])[H:257].[HH].[HH].[H][C:171]1([H:284])[C:127]([C:125]([N:124]([H:286])[H:287])=[O:126])=[C:128]([H:258])[N:129]([C@:130]2([H:259])[O:131][C@@:132]([C:133]([O:134][P:135](=[O:136])([O:137][H:260])[O:138][P:139](=[O:140])([O:141][H:261])[O:142][C:143]([C@@:144]3([H:262])[O:145][C@:146]([N:147]4:[C:148]([H:263]):[N:149]:[C:150]5:[C:151]([N:152]([H:264])[H:265]):[N:153]:[C:154]([H:266]):[N:155]:[C:156]:4:5)([H:267])[C@@:157]([O:158][P:159](=[O:160])([O:161][H:268])[O:162][H:269])([H:270])[C@@:163]3([O:164][H:271])[H:272])([H:273])[H:274])([H:275])[H:276])([H:277])[C@:165]([O:166][H:278])([H:279])[C@:167]2([O:168][H:280])[H:281])[C:169]([H:282])=[C:170]1[H:283].[H][C:123]1([H:314])[C:79]([C:77]([N:76]([H:316])[H:317])=[O:78])=[C:80]([H:288])[N:81]([C@:82]2([H:289])[O:83][C@@:84]([C:85]([O:86][P:87](=[O:88])([O:89][H:290])[O:90][P:91](=[O:92])([O:93][H:291])[O:94][C:95]([C@@:96]3([H:292])[O:97][C@:98]([N:99]4:[C:100]([H:293]):[N:101]:[C:102]5:[C:103]([N:104]([H:294])[H:295]):[N:105]:[C:106]([H:296]):[N:107]:[C:108]:4:5)([H:297])[C@@:109]([O:110][P:111](=[O:112])([O:113][H:298])[O:114][H:299])([H:300])[C@@:115]3([O:116][H:301])[H:302])([H:303])[H:304])([H:305])[H:306])([H:307])[C@:117]([O:118][H:308])([H:309])[C@:119]2([O:120][H:310])[H:311])[C:121]([H:312])=[C:122]1[H:313]>>[H][C:26]([H])([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:255])([H:256])[H:257])([H:253])[H:254])([H:251])[H:252])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])[O:27][H].[N:124]([C:125](=[O:126])[C:127]1:[C:128]([H:258]):[N+:129]([C@:130]2([H:259])[O:131][C@@:132]([C:133]([O:134][P:135](=[O:136])([O:137][H:260])[O:138][P:139](=[O:140])([O:141][H:261])[O:142][C:143]([C@@:144]3([H:262])[O:145][C@:146]([N:147]4:[C:148]([H:263]):[N:149]:[C:150]5:[C:151]([N:152]([H:264])[H:265]):[N:153]:[C:154]([H:266]):[N:155]:[C:156]:4:5)([H:267])[C@@:157]([O:158][P:159](=[O:160])([O:161][H:268])[O:162][H:269])([H:270])[C@@:163]3([O:164][H:271])[H:272])([H:273])[H:274])([H:275])[H:276])([H:277])[C@:165]([O:166][H:278])([H:279])[C@:167]2([O:168][H:280])[H:281]):[C:169]([H:282]):[C:170]([H:283]):[C:171]:1[H:284])([H:286])[H:287].[N:76]([C:77](=[O:78])[C:79]1:[C:80]([H:288]):[N+:81]([C@:82]2([H:289])[O:83][C@@:84]([C:85]([O:86][P:87](=[O:88])([O:89][H:290])[O:90][P:91](=[O:92])([O:93][H:291])[O:94][C:95]([C@@:96]3([H:292])[O:97][C@:98]([N:99]4:[C:100]([H:293]):[N:101]:[C:102]5:[C:103]([N:104]([H:294])[H:295]):[N:105]:[C:106]([H:296]):[N:107]:[C:108]:4:5)([H:297])[C@@:109]([O:110][P:111](=[O:112])([O:113][H:298])[O:114][H:299])([H:300])[C@@:115]3([O:116][H:301])[H:302])([H:303])[H:304])([H:305])[H:306])([H:307])[C@:117]([O:118][H:308])([H:309])[C@:119]2([O:120][H:310])[H:311]):[C:121]([H:312]):[C:122]([H:313]):[C:123]:1[H:314])([H:316])[H:317].[H][S:28][C:29]([C:30]([N:31]([C:32](=[O:33])[C:34]([C:35]([N:36]([C:37](=[O:38])[C@:39]([O:40][H:172])([C:41]([C:42]([H:173])([H:174])[H:175])([C:43]([H:176])([H:177])[H:178])[C:44]([O:45][P:46](=[O:47])([O:48][H:179])[O:49][P:50](=[O:51])([O:52][H:180])[O:53][C:54]([C@@:55]1([H:181])[O:56][C@:57]([N:58]2:[C:59]([H:182]):[N:60]:[C:61]3:[C:62]([N:63]([H:183])[H:184]):[N:64]:[C:65]([H:185]):[N:66]:[C:67]:2:3)([H:186])[C@@:68]([O:69][H:187])([H:188])[C@@:70]1([O:71][P:72](=[O:73])([O:74][H:189])[O:75][H:190])[H:191])([H:192])[H:193])([H:194])[H:195])[H:196])[H:197])([H:198])[H:199])([H:200])[H:201])[H:202])([H:203])[H:204])([H:205])[H:206]