EVODEX.1-P264

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:70])([H:71])[H:72])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])[H:61])[H:60])([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C@@:24]([O:25][H:34])([C:26]([O:27][P:28](=[O:29])([O:30][H:35])[O:31][H:36])([H:37])[H:38])[H:39])([H:40])[H:41])([H:42])[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].[O:32]=[O:33]>>[H][O:33][O:32][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:70])([H:71])[H:72])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])[H:61])[H:60])[H:58])[H:57])([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C@@:24]([O:25][H:34])([C:26]([O:27][P:28](=[O:29])([O:30][H:35])[O:31][H:36])([H:37])[H:38])[H:39])([H:40])[H:41])([H:42])[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]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E254 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]=[#6:7]-[#6:8](-[#6:9]=[#6:10](-[#6:11])-[H:56])(-[H:58])-[H].[#8:32]=[#8:33]>>[#6:6]=[#6:7]-[#6:8](=[#6:9]-[#6:10](-[#6:11])(-[#8:32]-[#8:33]-[H])-[H:56])-[H:58]

EVODEX.1-C200 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:8].[#6:10]).[#8:32]=[#8:33]>>([H]-[#8:33]-[#8:32]-[#6:10].[#6:8])

EVODEX.1-N132 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:8](-[#6:7])(-[#6:9]=[#6:10](-[#6:11])-[H:56])-[H:58].[#8:32]=[#8:33]>>[H]-[#8:33]-[#8:32]-[#6:10](-[#6:9]=[#6:8](-[#6:7])-[H:58])(-[#6:11])-[H:56]

EVODEX.1-Em215 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#6:7]=[#6:6])-[#6:9]=[#6:10]-[#6:11].[#8:32]=[#8:33]>>[H]-[#8:33]-[#8:32]-[#6:10](-[#6:9]=[#6:8]-[#6:7]=[#6:6])-[#6:11]

EVODEX.1-Cm180 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:8].[#6:10]).[#8:32]=[#8:33]>>([H]-[#8:33]-[#8:32]-[#6:10].[#6:8])

EVODEX.1-Nm214 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#6:7])-[#6:9]=[#6:10]-[#6:11].[#8:32]=[#8:33]>>[H]-[#8:33]-[#8:32]-[#6:10](-[#6:9]=[#6:8]-[#6:7])-[#6:11]

Source Full Reactions

EVODEX.1-R301

Full Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:70])([H:71])[H:72])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])[H:61])[H:60])([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C@@:24]([O:25][H:34])([C:26]([O:27][P:28](=[O:29])([O:30][H:35])[O:31][H:36])([H:37])[H:38])[H:39])([H:40])[H:41])([H:42])[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].[O:32]=[O:33]>>[H][O:33][O:32][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:70])([H:71])[H:72])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])[H:61])[H:60])[H:58])[H:57])([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C@@:24]([O:25][H:34])([C:26]([O:27][P:28](=[O:29])([O:30][H:35])[O:31][H:36])([H:37])[H:38])[H:39])([H:40])[H:41])([H:42])[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]