EVODEX Logo

EVODEX.1-P2584

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:19]([C:20]1:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([N:25]([H:47])[H:48]):[C:26]:1[H:49])[H:50]>>[H]N=C1:C(C([H])([H])[N:19]([C:20]2:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([N:25]([H:47])[H:48]):[C:26]:2[H:49])[H:50]):C([H]):N:C(C([H])([H])[H]):N:1[H]

Derived Operators

EVODEX.1-F417 - Elemental Balance

C6
N3
H7

EVODEX.1-M405 - Mass Difference

121.06411

EVODEX.1-E1226 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#7:8](-[H:50])-[H]>>[#6:7]-[#7:8](-[#6](-[#6]1:[#6](-[H]):[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6]:1-[#7](-[H])-[H])(-[H])-[H])-[H:50]

EVODEX.1-C401 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:19]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:19]

EVODEX.1-N481 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:19](-[#6:20])-[H:51]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:19](-[#6:20])-[H:51]

EVODEX.1-Em102 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm135 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:19]-[#6:20]>>[#6]-[#6](-[H])(-[H])-[#7:19]-[#6:20]

Source Full Reactions

EVODEX.1-R3321

Full Reaction Rendering

[C:1]([C:2]1:[N:3]:[C:4]([H:27]):[C:5]([C:6]([N+:7]2:[C:8]([H:28]):[S:9]:[C:10]([C:11]([C:12]([O:13][H:29])([H:30])[H:31])([H:32])[H:33]):[C:14]:2[C:15]([H:34])([H:35])[H:36])([H:37])[H:38]):[C:16](=[N:17][H:39]):[N:18]:1[H:40])([H:41])([H:42])[H:43].[H][N:19]([C:20]1:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([N:25]([H:47])[H:48]):[C:26]:1[H:49])[H:50]>>[C:1]([C:2]1:[N:3]:[C:4]([H:27]):[C:5]([C:6]([N:19]([C:20]2:[C:21]([H:44]):[C:22]([H:45]):[C:23]([H:46]):[C:24]([N:25]([H:47])[H:48]):[C:26]:2[H:49])[H:50])([H:37])[H:38]):[C:16](=[N:17][H:39]):[N:18]:1[H:40])([H:41])([H:42])[H:43].[HH].[N:7]1:[C:8]([H:28]):[S:9]:[C:10]([C:11]([C:12]([O:13][H:29])([H:30])[H:31])([H:32])[H:33]):[C:14]:1[C:15]([H:34])([H:35])[H:36]