EVODEX Logo

EVODEX.1-P3762

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C:2]1:[C:3]([H:59]):[C:4]([H:60]):[C:5]([H:61]):[C:6]2:[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]([N:11]([H:65])[H:66]):[C:12]:1:2)[H:67]>>[H]OS(=O)(=O)[N:1]([C:2]1:[C:3]([H:59]):[C:4]([H:60]):[C:5]([H:61]):[C:6]2:[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]([N:11]([H:65])[H:66]):[C:12]:1:2)[H:67]

Derived Operators

EVODEX.1-F286 - Elemental Balance

O3
S1

EVODEX.1-M143 - Mass Difference

79.9568

EVODEX.1-E1044 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#16](=[#8])(=[#8])-[#8]-[H])-[H:70]

EVODEX.1-C484 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#7:1]

EVODEX.1-N594 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6:2])-[H:66]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#7:1](-[#6:2])-[H:66]

EVODEX.1-Em573 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#7:1]-[#6:2]

EVODEX.1-Cm260 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:1]>>[#16]-[#7:1]

EVODEX.1-Nm519 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#7:1]-[#6:2]

Source Full Reactions

EVODEX.1-R4625

Full Reaction Rendering

[N:13]([C:14]1:[N:15]:[C:16]([H:44]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:45]):[N:22]:2[C@:23]1([H:46])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:47])[O:31][S:32](=[O:33])(=[O:34])[O:35][H:48])([H:49])[H:50])([H:51])[C@:36]([O:37][P:38](=[O:39])([O:40][H:52])[O:41][H:53])([H:54])[C@:42]1([O:43][H:55])[H:56])([H:57])[H:58].[H][N:1]([C:2]1:[C:3]([H:59]):[C:4]([H:60]):[C:5]([H:61]):[C:6]2:[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]([N:11]([H:65])[H:66]):[C:12]:1:2)[H:67]>>[H][O:31][P:28]([O:27][C:26]([C@@:25]1([H:51])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:44]):[N:15]:[C:14]([N:13]([H:57])[H:58]):[C:19]:3:[N:20]:[C:21]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:36]1([O:37][P:38](=[O:39])([O:40][H:52])[O:41][H:53])[H:54])([H:49])[H:50])(=[O:29])[O:30][H:47].[N:1]([C:2]1:[C:3]([H:59]):[C:4]([H:60]):[C:5]([H:61]):[C:6]2:[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]([N:11]([H:65])[H:66]):[C:12]:1:2)([S:32](=[O:33])(=[O:34])[O:35][H:48])[H:67]