EVODEX Logo

EVODEX.1-P4909

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)[N:8]([C@@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:22])([H:35])[H:36])([H:33])[H:34])([C:19](=[O:20])[O:21][H:31])[H:32])[H:30]):C([H]):C:1[H]>>[H][N:8]([C@@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:22])([H:35])[H:36])([H:33])[H:34])([C:19](=[O:20])[O:21][H:31])[H:32])[H:30]

Derived Operators

EVODEX.1-F75 - Elemental Balance

O-2
C-8
H-6

EVODEX.1-M218 - Mass Difference

-134.03678

EVODEX.1-E642 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#7:4](-[#6@@:5])-[H:34])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#7:4](-[#6@@:5])(-[H:34])-[H]

EVODEX.1-C619 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7:6]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:6]

EVODEX.1-N774 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:31]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:6](-[#6@@:5])-[H:31]

EVODEX.1-Em128 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm162 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5699

Full Reaction Rendering

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

EVODEX.1-R6447

Full Reaction Rendering

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