EVODEX.1-P2984

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:15]([C:14]([H:24])([H:25])[H:26])([N:16]([H:20])[H:21])[C:17](=[O:18])[O:19][H:22].[C:1]([C:2]([C:3]1:[N:4]:[C:5]([H:27]):[C:6]([C:7]([O:8][H:28])([H:29])[H:30]):[C:9]([C:10](=[O:11])[H:31]):[C:12]:1[O:13][H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[H][C:10]([C:9]1:[C:6]([C:7]([O:8][H:28])([H:29])[H:30]):[C:5]([H:27]):[N:4]:[C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34]):[C:12]:1[O:13][H:32])([N:16]([H:20])[H:21])[H:31].[O:11]=[C:15]([C:14]([H:24])([H:25])[H:26])[C:17](=[O:18])[O:19][H:22]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E249 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12]-[#6:13](=[#8:14])-[H:31].[#7:17](-[#6@@:18](-[#6:19])(-[#6:23]=[#8:24])-[H])(-[H:41])-[H:42]>>[#6:12]-[#6:13](-[#7:17](-[H:41])-[H:42])(-[H:31])-[H].[#8:14]=[#6:18](-[#6:19])-[#6:23]=[#8:24]

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N76 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1](-[H:31])-[H:32])(-[#6:3])-[#6:10].[#8:13]=[#6:14](-[#6:15])-[H:38]>>[#6:2](-[#6:3])(-[#6:10])=[#8:13].[H]-[#6:14](-[#7:1](-[H:31])-[H:32])(-[#6:15])-[H:38]

EVODEX.1-Em537 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#6:1])(-[#7:3])-[#6:4]=[#8:5].[#8:7]=[#6:8]-[#6:9]>>[#6:1]-[#6:2](-[#6:4]=[#8:5])=[#8:7].[H]-[#6:8](-[#7:3])-[#6:9]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm140 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10].[#8:13]=[#6:14]-[#6:15]>>[#6:2](-[#6:3])(-[#6:10])=[#8:13].[H]-[#6:14](-[#7:1])-[#6:15]

Source Full Reactions

EVODEX.1-R3651

Full Reaction Rendering

[H][C@@:15]([C:14]([H:24])([H:25])[H:26])([N:16]([H:20])[H:21])[C:17](=[O:18])[O:19][H:22].[C:1]([C:2]([C:3]1:[N:4]:[C:5]([H:27]):[C:6]([C:7]([O:8][H:28])([H:29])[H:30]):[C:9]([C:10](=[O:11])[H:31]):[C:12]:1[O:13][H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[H][C:10]([C:9]1:[C:6]([C:7]([O:8][H:28])([H:29])[H:30]):[C:5]([H:27]):[N:4]:[C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34]):[C:12]:1[O:13][H:32])([N:16]([H:20])[H:21])[H:31].[O:11]=[C:15]([C:14]([H:24])([H:25])[H:26])[C:17](=[O:18])[O:19][H:22]