EVODEX.1-P6470

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])=[C:4]([C:5]([C:6]1:[C:7]([O:8][H:30]):[C:9]([H:31]):[C:10]([O:11][H:32]):[C:12]2:[C:13]:1[O:14][C@@:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([O:20][H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[C:23]([H:39])([H:40])[C:24]2=[O:25])([H:41])[H:42])[H:43])([H:44])([H:45])[H:46].[H][O:26][H:47]>>[H][C:4]([C:2]([C:1]([H:44])([H:45])[H:46])([C:3]([H:27])([H:28])[H:29])[O:26][H:47])([C:5]([C:6]1:[C:7]([O:8][H:30]):[C:9]([H:31]):[C:10]([O:11][H:32]):[C:12]2:[C:13]:1[O:14][C@@:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([O:20][H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[C:23]([H:39])([H:40])[C:24]2=[O:25])([H:41])[H:42])[H:43]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E191 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:42].[#8:25](-[H:46])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])(-[H:42])-[H])-[#8:25]-[H:46]

EVODEX.1-C70 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]=[#6:4].[H]-[#8:26]>>[H]-[#6:4]-[#6:2]-[#8:26]

EVODEX.1-N950 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:43].[H]-[#8:26]-[H:47]>>[H]-[#6:4](-[#6:2](-[#6:1])(-[#6:3])-[#8:26]-[H:47])(-[#6:5])-[H:43]

EVODEX.1-Em763 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4]-[#6:5].[H]-[#8:26]>>[H]-[#6:4](-[#6:2](-[#6:1])(-[#6:3])-[#8:26])-[#6:5]

EVODEX.1-Cm110 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]=[#6:4].[H]-[#8:26]>>[H]-[#6:4]-[#6:2]-[#8:26]

EVODEX.1-Nm687 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4]-[#6:5].[H]-[#8:26]>>[H]-[#6:4](-[#6:2](-[#6:1])(-[#6:3])-[#8:26])-[#6:5]

Source Full Reactions

EVODEX.1-R7054

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])=[C:4]([C:5]([C:6]1:[C:7]([O:8][H:30]):[C:9]([H:31]):[C:10]([O:11][H:32]):[C:12]2:[C:13]:1[O:14][C@@:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([O:20][H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[C:23]([H:39])([H:40])[C:24]2=[O:25])([H:41])[H:42])[H:43])([H:44])([H:45])[H:46].[H][O:26][H:47]>>[H][C:4]([C:2]([C:1]([H:44])([H:45])[H:46])([C:3]([H:27])([H:28])[H:29])[O:26][H:47])([C:5]([C:6]1:[C:7]([O:8][H:30]):[C:9]([H:31]):[C:10]([O:11][H:32]):[C:12]2:[C:13]:1[O:14][C@@:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([O:20][H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[C:23]([H:39])([H:40])[C:24]2=[O:25])([H:41])[H:42])[H:43]