SMIRKS
[H][O:128][C@:127]1([H:354])[C@:124]([C:125]([O:126][H:349])([H:350])[H:351])([H:352])[O:123][C@:122]([O:121][C@:120]2([H:362])[C@:117]([C:118]([O:119][H:344])([H:345])[H:346])([H:347])[O:116][C@@:6]([O:7][P:8](=[O:9])([O:10][H:178])[O:11][P:12](=[O:13])([O:14][H:179])[O:15][C:16]([C:17]([C:18]([C:19]([H:180])([H:181])[H:182])([C:20]([C:21]([C:22](=[C:23]([C:24]([H:183])([H:184])[H:185])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:186])([H:187])[H:188])[C:30]([C:31]([C:32](=[C:33]([C:34]([H:189])([H:190])[H:191])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:192])([H:193])[H:194])[C:40]([C:41]([C:42](=[C:43]([C:44]([H:195])([H:196])[H:197])[C:45]([C:46]([C:47](=[C:48]([C:49]([H:198])([H:199])[H:200])[C:50]([C:51]([C:52](=[C:53]([C:54]([H:201])([H:202])[H:203])[C:55]([C:56]([C:57](=[C:58]([C:59]([H:204])([H:205])[H:206])[C:60]([C:61]([C:62](=[C:63]([C:64]([H:207])([H:208])[H:209])[C:65]([C:66]([C:67](=[C:68]([C:69]([H:210])([H:211])[H:212])[C:70]([C:71]([C:72](=[C:73]([C:74]([H:213])([H:214])[H:215])[C:75]([C:76]([C:77](=[C:78]([C:79]([H:216])([H:217])[H:218])[C:80]([C:81]([C:82](=[C:83]([C:84]([H:219])([H:220])[H:221])[C:85]([C:86]([C:87](=[C:88]([C:89]([H:222])([H:223])[H:224])[C:90]([C:91]([C:92](=[C:93]([C:94]([H:225])([H:226])[H:227])[C:95]([C:96]([C:97](=[C:98]([C:99]([H:228])([H:229])[H:230])[C:100]([C:101]([C:102](=[C:103]([C:104]([H:231])([H:232])[H:233])[C:105]([C:106]([C:107](=[C:108]([C:109]([H:234])([H:235])[H:236])[C:110]([C:111]([C:112](=[C:113]([C:114]([H:237])([H:238])[H:239])[C:115]([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])[H:258])([H:259])[H:260])([H:261])[H:262])[H:263])([H:264])[H:265])([H:266])[H:267])[H:268])([H:269])[H:270])([H:271])[H:272])[H:273])([H:274])[H:275])([H:276])[H:277])[H:278])([H:279])[H:280])([H:281])[H:282])[H:283])([H:284])[H:285])([H:286])[H:287])[H:288])([H:289])[H:290])([H:291])[H:292])[H:293])([H:294])[H:295])([H:296])[H:297])[H:298])([H:299])[H:300])([H:301])[H:302])[H:303])([H:304])[H:305])([H:306])[H:307])[H:308])([H:309])[H:310])([H:311])[H:312])[H:313])([H:314])[H:315])([H:316])[H:317])[H:318])([H:319])[H:320])([H:321])[H:322])[H:323])([H:324])[H:325])([H:326])[H:327])[H:328])([H:329])[H:330])([H:331])[H:332])[H:333])([H:334])[H:335])([H:336])[H:337])[H:338])([H:339])[H:340])([H:341])[H:342])([H:343])[C@@:5]([N:4]([C:2]([C:1]([H:366])([H:367])[H:368])=[O:3])[H:365])([H:177])[C@:136]2([O:137][H:363])[H:364])([H:348])[C@@:131]([N:132]([C:133]([C:134]([H:357])([H:358])[H:359])=[O:135])[H:360])([H:361])[C@:129]1([O:130][H:355])[H:356].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:159]1([H:373])[O:160][C@@:161]([C:162]([O:163][H:374])([H:375])[H:376])([H:377])[C@:164]([O:165][H:378])([H:379])[C@@:166]([O:167][H:380])([H:381])[C@@:168]1([O:169][H:382])[H:383]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:177])[C@:6]([O:7][P:8](=[O:9])([O:10][H:178])[O:11][P:12](=[O:13])([O:14][H:179])[O:15][C:16]([C:17]([C:18]([C:19]([H:180])([H:181])[H:182])([C:20]([C:21]([C:22](=[C:23]([C:24]([H:183])([H:184])[H:185])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:186])([H:187])[H:188])[C:30]([C:31]([C:32](=[C:33]([C:34]([H:189])([H:190])[H:191])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:192])([H:193])[H:194])[C:40]([C:41]([C:42](=[C:43]([C:44]([H:195])([H:196])[H:197])[C:45]([C:46]([C:47](=[C:48]([C:49]([H:198])([H:199])[H:200])[C:50]([C:51]([C:52](=[C:53]([C:54]([H:201])([H:202])[H:203])[C:55]([C:56]([C:57](=[C:58]([C:59]([H:204])([H:205])[H:206])[C:60]([C:61]([C:62](=[C:63]([C:64]([H:207])([H:208])[H:209])[C:65]([C:66]([C:67](=[C:68]([C:69]([H:210])([H:211])[H:212])[C:70]([C:71]([C:72](=[C:73]([C:74]([H:213])([H:214])[H:215])[C:75]([C:76]([C:77](=[C:78]([C:79]([H:216])([H:217])[H:218])[C:80]([C:81]([C:82](=[C:83]([C:84]([H:219])([H:220])[H:221])[C:85]([C:86]([C:87](=[C:88]([C:89]([H:222])([H:223])[H:224])[C:90]([C:91]([C:92](=[C:93]([C:94]([H:225])([H:226])[H:227])[C:95]([C:96]([C:97](=[C:98]([C:99]([H:228])([H:229])[H:230])[C:100]([C:101]([C:102](=[C:103]([C:104]([H:231])([H:232])[H:233])[C:105]([C:106]([C:107](=[C:108]([C:109]([H:234])([H:235])[H:236])[C:110]([C:111]([C:112](=[C:113]([C:114]([H:237])([H:238])[H:239])[C:115]([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])[H:258])([H:259])[H:260])([H:261])[H:262])[H:263])([H:264])[H:265])([H:266])[H:267])[H:268])([H:269])[H:270])([H:271])[H:272])[H:273])([H:274])[H:275])([H:276])[H:277])[H:278])([H:279])[H:280])([H:281])[H:282])[H:283])([H:284])[H:285])([H:286])[H:287])[H:288])([H:289])[H:290])([H:291])[H:292])[H:293])([H:294])[H:295])([H:296])[H:297])[H:298])([H:299])[H:300])([H:301])[H:302])[H:303])([H:304])[H:305])([H:306])[H:307])[H:308])([H:309])[H:310])([H:311])[H:312])[H:313])([H:314])[H:315])([H:316])[H:317])[H:318])([H:319])[H:320])([H:321])[H:322])[H:323])([H:324])[H:325])([H:326])[H:327])[H:328])([H:329])[H:330])([H:331])[H:332])[H:333])([H:334])[H:335])([H:336])[H:337])[H:338])([H:339])[H:340])([H:341])[H:342])([H:343])[O:116][C@@:117]([C:118]([O:119][H:344])([H:345])[H:346])([H:347])[C@:120]([O:121][C@:122]2([H:348])[O:123][C@@:124]([C:125]([O:126][H:349])([H:350])[H:351])([H:352])[C@:127]([O:128][C@:159]3([H:373])[O:160][C@@:161]([C:162]([O:163][H:374])([H:375])[H:376])([H:377])[C@:164]([O:165][H:378])([H:379])[C@@:166]([O:167][H:380])([H:381])[C@@:168]3([O:169][H:382])[H:383])([H:354])[C@@:129]([O:130][H:355])([H:356])[C@:131]2([N:132]([C:133]([C:134]([H:357])([H:358])[H:359])=[O:135])[H:360])[H:361])([H:362])[C@@:136]1([O:137][H:363])[H:364])[H:365])([H:366])([H:367])[H:368]
Derived Operators
EVODEX.1-F390 - Elemental Balance
| P | -2 |
| O | -11 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M39 - Mass Difference
-443.02444999999994
EVODEX.1-E1192 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22](-[H:66])(-[#8:23])-[#6@:31])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#6:42]-[#8:43]-[H]>>[#8:43](-[#6@:22](-[H:66])(-[#8:23])-[#6@:31])-[#6:42]
EVODEX.1-C1240 - Reaction Operator C
([H]-[#8:128].[#6@:124].[#6@:117].[#6@@:6].[#6@:136].[#6@@:131]-[#6@:129]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:159]>>([#8:128]-[#6@:159].[#6@:6].[#6@@:117].[#6@@:124].[#6@@:129]-[#6@:131].[#6@@:136])
EVODEX.1-N1539 - Reaction Operator N
([H]-[#8:128]-[#6@@:127]1-[#6@:124](-[#6:125])(-[H:352])-[#8:123]-[#6@:122]-[#6@@:131](-[#7:132])(-[H:361])-[#6@:129]-1(-[#8:130])-[H:356].[#6:118]-[#6@@:117]1(-[#6@:120]-[#6@@:136](-[#6@@:5]-[#6@:6](-[#8:116]-1)(-[#8:7])-[H:343])(-[#8:137])-[H:364])-[H:347]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:159](-[H:373])(-[#8:160])-[#6@@:168]>>([#8:7]-[#6@@:6]1(-[#6@@:5]-[#6@:136](-[#6@:120]-[#6@:117](-[#8:116]-1)(-[#6:118])-[H:347])(-[#8:137])-[H:364])-[H:343].[#8:123]1-[#6@:122]-[#6@@:131](-[#6@:129](-[#6@:127](-[#6@:124]-1(-[#6:125])-[H:352])-[#8:128]-[#6@:159](-[H:373])(-[#8:160])-[#6@@:168])(-[#8:130])-[H:356])(-[#7:132])-[H:361])
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3002
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