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EVODEX.1-P5515

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)[N:5]([C@@:4]([C:2]([C:1]([H:34])([H:35])[H:36])([C:3]([H:20])([H:21])[H:22])[H:33])([C:16](=[O:17])[O:18][H:31])[H:32])[H:30]):C([H]):C:1[H]>>[H][N:5]([C@@:4]([C:2]([C:1]([H:34])([H:35])[H:36])([C:3]([H:20])([H:21])[H:22])[H:33])([C:16](=[O:17])[O:18][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-R6254

Full Reaction Rendering

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

EVODEX.1-R6453

Full Reaction Rendering

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