EVODEX.1-P156

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]1=[C:12]([C:13]([H:34])([H:35])[H:36])[C:14](=[O:15])[C:16]([O:17][C:18]([H:37])([H:38])[H:39])=[C:19]([O:20][C:21]([H:40])([H:41])[H:42])[C:22]1=[O:23])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][C@@:30]([C:29]([O:28][P:25](=[O:24])([O:26][H:64])[O:27][H:65])([H:71])[H:72])([O:31][H])[C:32]([O:33][H:67])([H:68])[H:69]>>[H][O:15][C:14]1:[C:12]([C:13]([H:34])([H:35])[H:36]):[C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44]):[C:22]([O:23][H]):[C:19]([O:20][C:21]([H:40])([H:41])[H:42]):[C:16]:1[O:17][C:18]([H:37])([H:38])[H:39].[O:24]=[P:25]([O:26][H:64])([O:27][H:65])[O:28][C:29]([C:30](=[O:31])[C:32]([O:33][H:67])([H:68])[H:69])([H:71])[H:72]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E314 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:14](-[#6@:13](-[#6@:11])(-[#6@:15])-[H])-[H]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H]

EVODEX.1-C72 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).[H]-[#6@:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-N83 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6@:13](-[#6@:11])(-[#8:14]-[H])-[#6@:15]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

EVODEX.1-Em195 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm98 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

Source Full Reactions

EVODEX.1-R201

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]1=[C:12]([C:13]([H:34])([H:35])[H:36])[C:14](=[O:15])[C:16]([O:17][C:18]([H:37])([H:38])[H:39])=[C:19]([O:20][C:21]([H:40])([H:41])[H:42])[C:22]1=[O:23])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][C@@:30]([C:29]([O:28][P:25](=[O:24])([O:26][H:64])[O:27][H:65])([H:71])[H:72])([O:31][H])[C:32]([O:33][H:67])([H:68])[H:69]>>[H][O:15][C:14]1:[C:12]([C:13]([H:34])([H:35])[H:36]):[C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44]):[C:22]([O:23][H]):[C:19]([O:20][C:21]([H:40])([H:41])[H:42]):[C:16]:1[O:17][C:18]([H:37])([H:38])[H:39].[O:24]=[P:25]([O:26][H:64])([O:27][H:65])[O:28][C:29]([C:30](=[O:31])[C:32]([O:33][H:67])([H:68])[H:69])([H:71])[H:72]