EVODEX.1-P2604

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E259 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](=[#6:2]-[#6:4](-[#6:5])(-[H:60])-[H])(-[H:62])-[H:63].[#6:33]-[#6:34](-[#8:35]-[#15:36])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63].[#8:35](-[#15:36])-[H]

EVODEX.1-C392 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:4].[#6:1]).[#6:34]-[#8:35]>>([#6:1]-[#6:34].[#6:4]).[H]-[#8:35]

EVODEX.1-N469 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1](-[H:62])-[H:63])(-[#6:5])-[H:60].[#6:33]-[#6:34](-[#8:35]-[#15:36])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63].[H]-[#8:35]-[#15:36]

EVODEX.1-Em506 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1])-[#6:5].[#6:33]-[#6:34]-[#8:35]-[#15:36]>>[#6:1](-[#6:2]=[#6:4]-[#6:5])-[#6:34]-[#6:33].[H]-[#8:35]-[#15:36]

EVODEX.1-Cm242 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:4].[#6:1]).[#6:34]-[#8:35]>>([#6:1]-[#6:34].[#6:4]).[H]-[#8:35]

EVODEX.1-Nm457 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1])-[#6:5].[#6:33]-[#6:34]-[#8:35]-[#15:36]>>[#6:1](-[#6:2]=[#6:4]-[#6:5])-[#6:34]-[#6:33].[H]-[#8:35]-[#15:36]

Source Full Reactions

EVODEX.1-R3339

Full Reaction Rendering

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