EVODEX.1-P3616

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E77 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:17]-[#8:19]-[H].[#15:31]-[#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38]>>[#15:17]-[#8:19]-[#15:35](=[#8:36])(-[#8:37])-[#8:38].[#15:31]-[#8:34]-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N1111 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12].[H]-[#8:86]-[#15:84]>>[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:86]-[#15:84].[H]-[#8:11]-[#15:12]

EVODEX.1-Em47 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm53 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]

Source Full Reactions

EVODEX.1-R4367

Full Reaction Rendering

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