EVODEX.1-P2534

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R3281

Full Reaction Rendering

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