EVODEX.1-P1688

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:57])[O:8][H:58])([H:59])([H:60])[H:61].[H][S:56][C:55]([C:54]([N:53]([C:51]([C:50]([C:49]([N:48]([C:46]([C@@:44]([C:10]([C:9]([H:95])([H:96])[H:97])([C:11]([H:62])([H:63])[H:64])[C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][C:22]([C@@:23]1([H:67])[O:24][C@:25]([N:26]2:[C:27]([H:68]):[N:28]:[C:29]3:[C:30]([N:31]([H:69])[H:70]):[N:32]:[C:33]([H:71]):[N:34]:[C:35]:2:3)([H:72])[C@@:36]([O:37][H:73])([H:74])[C@@:38]1([O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:45][H:82])[H:94])=[O:47])[H:93])([H:91])[H:92])([H:89])[H:90])=[O:52])[H:88])([H:86])[H:87])([H:84])[H:85]>>[C:1]([C:2](=[O:3])[S:56][C:55]([C:54]([N:53]([C:51]([C:50]([C:49]([N:48]([C:46]([C@@:44]([C:10]([C:9]([H:95])([H:96])[H:97])([C:11]([H:62])([H:63])[H:64])[C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][C:22]([C@@:23]1([H:67])[O:24][C@:25]([N:26]2:[C:27]([H:68]):[N:28]:[C:29]3:[C:30]([N:31]([H:69])[H:70]):[N:32]:[C:33]([H:71]):[N:34]:[C:35]:2:3)([H:72])[C@@:36]([O:37][H:73])([H:74])[C@@:38]1([O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:45][H:82])[H:94])=[O:47])[H:93])([H:91])[H:92])([H:89])[H:90])=[O:52])[H:88])([H:86])[H:87])([H:84])[H:85])([H:59])([H:60])[H:61].[H][O:4][P:5](=[O:6])([O:7][H:57])[O:8][H:58]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E239 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[#15:64]-[#8:67]-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N1087 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:50]-[#6:51](=[#8:52])-[#8:53]-[#15:54]>>[#6:47]-[#16:48]-[#6:51](-[#6:50])=[#8:52].[H]-[#8:53]-[#15:54]

EVODEX.1-Em452 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[H]-[#8:67]-[#15:64]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm405 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[H]-[#8:67]-[#15:64]

Source Full Reactions

EVODEX.1-R2241

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:57])[O:8][H:58])([H:59])([H:60])[H:61].[H][S:56][C:55]([C:54]([N:53]([C:51]([C:50]([C:49]([N:48]([C:46]([C@@:44]([C:10]([C:9]([H:95])([H:96])[H:97])([C:11]([H:62])([H:63])[H:64])[C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][C:22]([C@@:23]1([H:67])[O:24][C@:25]([N:26]2:[C:27]([H:68]):[N:28]:[C:29]3:[C:30]([N:31]([H:69])[H:70]):[N:32]:[C:33]([H:71]):[N:34]:[C:35]:2:3)([H:72])[C@@:36]([O:37][H:73])([H:74])[C@@:38]1([O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:45][H:82])[H:94])=[O:47])[H:93])([H:91])[H:92])([H:89])[H:90])=[O:52])[H:88])([H:86])[H:87])([H:84])[H:85]>>[C:1]([C:2](=[O:3])[S:56][C:55]([C:54]([N:53]([C:51]([C:50]([C:49]([N:48]([C:46]([C@@:44]([C:10]([C:9]([H:95])([H:96])[H:97])([C:11]([H:62])([H:63])[H:64])[C:12]([O:13][P:14](=[O:15])([O:16][H:65])[O:17][P:18](=[O:19])([O:20][H:66])[O:21][C:22]([C@@:23]1([H:67])[O:24][C@:25]([N:26]2:[C:27]([H:68]):[N:28]:[C:29]3:[C:30]([N:31]([H:69])[H:70]):[N:32]:[C:33]([H:71]):[N:34]:[C:35]:2:3)([H:72])[C@@:36]([O:37][H:73])([H:74])[C@@:38]1([O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:45][H:82])[H:94])=[O:47])[H:93])([H:91])[H:92])([H:89])[H:90])=[O:52])[H:88])([H:86])[H:87])([H:84])[H:85])([H:59])([H:60])[H:61].[H][O:4][P:5](=[O:6])([O:7][H:57])[O:8][H:58]