EVODEX.1-P850

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E266 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:16]=[#8:17].[#6:5](=[#8:6])-[#6@@:7](-[#6:8](-[#6:9])(-[H:26])-[H])(-[H])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15].[#8:16](-[#8:17]-[H])-[H]

EVODEX.1-C102 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-N1197 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:16]=[#8:17].[H]-[#6@:7](-[#6:8](-[H])(-[#6:9])-[H:26])(-[#6:5])-[#7:15]>>[#6:5]-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Em323 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:16]=[#8:17].[H]-[#6:7](-[#6:8](-[H])-[#6:9])(-[#6:5]=[#8:6])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8]-[#6:9])-[#7:15].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Cm127 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Nm728 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:16]=[#8:17].[H]-[#6:7](-[#6:8](-[H])-[#6:9])(-[#6:5])-[#7:15]>>[#6:5]-[#6:7](=[#6:8]-[#6:9])-[#7:15].[H]-[#8:16]-[#8:17]-[H]

Source Full Reactions

EVODEX.1-R818

Full Reaction Rendering

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