EVODEX.1-P3949

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([C:4](=[C:5]([C:6]1:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([O:12][H:30]):[C:13]:1[H:31])[H:32])[H:33])[O:14][C@:15]1([H:34])[C:16]([H:35])([H:36])[C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@:23]([O:24][H:41])([H:42])[C@:25]1([O:26][H:43])[H:44].[H][O:1][H:45]>>[H][O:14][C@:15]1([H:34])[C:16]([H:35])([H:36])[C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@:23]([O:24][H:41])([H:42])[C@:25]1([O:26][H:43])[H:44].[O:1]([C:3](=[O:2])[C:4](=[C:5]([C:6]1:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([O:12][H:30]):[C:13]:1[H:31])[H:32])[H:33])[H:45]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N55 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]-[H:17]>>[#6:2]-[#6:3](=[#8:4])-[#8:8]-[H:17].[H]-[#8:5]-[#6:6]

EVODEX.1-Em598 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm149 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R4800

Full Reaction Rendering

[O:2]=[C:3]([C:4](=[C:5]([C:6]1:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([O:12][H:30]):[C:13]:1[H:31])[H:32])[H:33])[O:14][C@:15]1([H:34])[C:16]([H:35])([H:36])[C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@:23]([O:24][H:41])([H:42])[C@:25]1([O:26][H:43])[H:44].[H][O:1][H:45]>>[H][O:14][C@:15]1([H:34])[C:16]([H:35])([H:36])[C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@:23]([O:24][H:41])([H:42])[C@:25]1([O:26][H:43])[H:44].[O:1]([C:3](=[O:2])[C:4](=[C:5]([C:6]1:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([O:12][H:30]):[C:13]:1[H:31])[H:32])[H:33])[H:45]