EVODEX.1-P6607

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E68 - Reaction Operator E

Reaction Operator E SMIRKS

([#6:5]-[#6:6](=[#6:7](-[#6:8]=[#8:9])-[H:29])-[H:30].[#6:17]-[#8:18]-[H])>>[#6:5]-[#6@:6](-[H:30])(-[#6:7](-[H:29])(-[H])-[#6:8]=[#8:9])-[#8:18]-[#6:17]

EVODEX.1-C763 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:18].[#6:7]=[#6:6])>>[H]-[#6:7]-[#6@:6]-[#8:18]

EVODEX.1-N974 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:18]-[#6:17].[#6:8]-[#6:7](=[#6:6](-[#6:5])-[H:30])-[H:29])>>[H]-[#6:7](-[H:29])(-[#6@:6](-[#6:5])(-[H:30])-[#8:18]-[#6:17])-[#6:8]

EVODEX.1-Em791 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#8:18]-[#6:17].[#6:8](-[#6:7]=[#6:6]-[#6:5])=[#8:9])>>[H]-[#6:7](-[#6:6](-[#6:5])-[#8:18]-[#6:17])-[#6:8]=[#8:9]

EVODEX.1-Cm315 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:18].[#6:7]=[#6:6])>>[H]-[#6:7]-[#6:6]-[#8:18]

EVODEX.1-Nm712 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#8:18]-[#6:17].[#6:8]-[#6:7]=[#6:6]-[#6:5])>>[H]-[#6:7](-[#6:6](-[#6:5])-[#8:18]-[#6:17])-[#6:8]

Source Full Reactions

EVODEX.1-R7188

Full Reaction Rendering

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