SMIRKS
[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64](=[O:65])[O:66][C:67]([C@@:68]1([H:153])[O:69][C@:70]([O:71][C@@:72]2([H:154])[C@@:73]([O:74][H:155])([H:156])[C@:75]([N:76]([C:77]([C:78]([H:157])([H:158])[H:159])=[O:79])[H:160])([H:161])[C@@:80]([O:81][C@@:82]3([H:162])[C@@:83]([O:84][H:163])([H:164])[C@:85]([N:86]([C:87]([C:88]([H:165])([H:166])[H:167])=[O:89])[H:168])([H:169])[C:90]([N:91]([C:92](=[O:93])[C:94]([C@:95]([N:96]([C:97]([C:98]([H:170])([H:171])[H:172])=[O:99])[H:173])([C:100]([N:101]([H:174])[H:175])=[O:102])[H:176])([H:177])[H:178])[H:179])([H:180])[O:103][C@@:104]3([C:105]([O:106][H:181])([H:182])[H:183])[H:184])([H:185])[O:107][C@@:108]2([C:109]([O:110][H:186])([H:187])[H:188])[H:189])([H:190])[C@:111]([O:112][H:191])([H:192])[C@:113]([O:114][H:193])([H:194])[C@@:115]1([O:116][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]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:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:227])([H:228])[H:229])([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])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])=[O:65])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:66][C:67]([C@@:68]1([H:153])[O:69][C@:70]([O:71][C@@:72]2([H:154])[C@@:73]([O:74][H:155])([H:156])[C@:75]([N:76]([C:77]([C:78]([H:157])([H:158])[H:159])=[O:79])[H:160])([H:161])[C@@:80]([O:81][C@@:82]3([H:162])[C@@:83]([O:84][H:163])([H:164])[C@:85]([N:86]([C:87]([C:88]([H:165])([H:166])[H:167])=[O:89])[H:168])([H:169])[C:90]([N:91]([C:92](=[O:93])[C:94]([C@:95]([N:96]([C:97]([C:98]([H:170])([H:171])[H:172])=[O:99])[H:173])([C:100]([N:101]([H:174])[H:175])=[O:102])[H:176])([H:177])[H:178])[H:179])([H:180])[O:103][C@@:104]3([C:105]([O:106][H:181])([H:182])[H:183])[H:184])([H:185])[O:107][C@@:108]2([C:109]([O:110][H:186])([H:187])[H:188])[H:189])([H:190])[C@:111]([O:112][H:191])([H:192])[C@:113]([O:114][H:193])([H:194])[C@@:115]1([O:116][H:195])[H:196])([H:197])[H:198]
Derived Operators
EVODEX.1-F117 - Elemental Balance
| P | 3 |
| O | 16 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 36 |
EVODEX.1-M20 - Mass Difference
767.1154799999999
EVODEX.1-E739 - Reaction Operator E
[#6:63]-[#6:64](=[#8:65])-[#8:66]-[#6:67]>>[#6](-[#6](-[#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])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:64](-[#6:63])=[#8:65])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:66](-[#6:67])-[H]
EVODEX.1-C111 - Reaction Operator C
[#6:2]-[#8:4]>>[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]-[#6:2])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]
EVODEX.1-N48 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[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]-[#6:2](-[#6:1])=[#8:3])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]-[#6:5]
EVODEX.1-Em432 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#8:4]-[#6:5]
EVODEX.1-Nm126 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#8:4]-[#6:5]
Source Full Reactions
EVODEX.1-R2055
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:150])([H:151])[H:152])([C:3]([H:117])([H:118])[H:119])[C:4]([O:5][P:6](=[O:7])([O:8][H:120])[O:9][P:10](=[O:11])([O:12][H:121])[O:13][C:14]([C@@:15]1([H:122])[O:16][C@:17]([N:18]2:[C:19]([H:123]):[N:20]:[C:21]3:[C:22]([N:23]([H:124])[H:125]):[N:24]:[C:25]([H:126]):[N:26]:[C:27]:2:3)([H:127])[C@@:28]([O:29][H:128])([H:129])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:130])[O:35][H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([O:37][H:137])[H:149])=[O:39])[H:148])([H:146])[H:147])([H:144])[H:145])=[O:44])[H:143])([H:141])[H:142])([H:139])[H:140].[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64](=[O:65])[O:66][C:67]([C@@:68]1([H:153])[O:69][C@:70]([O:71][C@@:72]2([H:154])[C@@:73]([O:74][H:155])([H:156])[C@:75]([N:76]([C:77]([C:78]([H:157])([H:158])[H:159])=[O:79])[H:160])([H:161])[C@@:80]([O:81][C@@:82]3([H:162])[C@@:83]([O:84][H:163])([H:164])[C@:85]([N:86]([C:87]([C:88]([H:165])([H:166])[H:167])=[O:89])[H:168])([H:169])[C:90]([N:91]([C:92](=[O:93])[C:94]([C@:95]([N:96]([C:97]([C:98]([H:170])([H:171])[H:172])=[O:99])[H:173])([C:100]([N:101]([H:174])[H:175])=[O:102])[H:176])([H:177])[H:178])[H:179])([H:180])[O:103][C@@:104]3([C:105]([O:106][H:181])([H:182])[H:183])[H:184])([H:185])[O:107][C@@:108]2([C:109]([O:110][H:186])([H:187])[H:188])[H:189])([H:190])[C@:111]([O:112][H:191])([H:192])[C@:113]([O:114][H:193])([H:194])[C@@:115]1([O:116][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]>>[C:1]([C:2]([C:3]([H:117])([H:118])[H:119])([C:4]([O:5][P:6](=[O:7])([O:8][H:120])[O:9][P:10](=[O:11])([O:12][H:121])[O:13][C:14]([C@@:15]1([H:122])[O:16][C@:17]([N:18]2:[C:19]([H:123]):[N:20]:[C:21]3:[C:22]([N:23]([H:124])[H:125]):[N:24]:[C:25]([H:126]):[N:26]:[C:27]:2:3)([H:127])[C@@:28]([O:29][H:128])([H:129])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:130])[O:35][H:131])[H:132])([H:133])[H:134])([H:135])[H:136])[C@@:36]([O:37][H:137])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:227])([H:228])[H:229])([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])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])=[O:65])([H:139])[H:140])([H:141])[H:142])[H:143])([H:144])[H:145])([H:146])[H:147])[H:148])[H:149])([H:150])([H:151])[H:152].[H][O:66][C:67]([C@@:68]1([H:153])[O:69][C@:70]([O:71][C@@:72]2([H:154])[C@@:73]([O:74][H:155])([H:156])[C@:75]([N:76]([C:77]([C:78]([H:157])([H:158])[H:159])=[O:79])[H:160])([H:161])[C@@:80]([O:81][C@@:82]3([H:162])[C@@:83]([O:84][H:163])([H:164])[C@:85]([N:86]([C:87]([C:88]([H:165])([H:166])[H:167])=[O:89])[H:168])([H:169])[C:90]([N:91]([C:92](=[O:93])[C:94]([C@:95]([N:96]([C:97]([C:98]([H:170])([H:171])[H:172])=[O:99])[H:173])([C:100]([N:101]([H:174])[H:175])=[O:102])[H:176])([H:177])[H:178])[H:179])([H:180])[O:103][C@@:104]3([C:105]([O:106][H:181])([H:182])[H:183])[H:184])([H:185])[O:107][C@@:108]2([C:109]([O:110][H:186])([H:187])[H:188])[H:189])([H:190])[C@:111]([O:112][H:191])([H:192])[C@:113]([O:114][H:193])([H:194])[C@@:115]1([O:116][H:195])[H:196])([H:197])[H:198]