EVODEX.1-P2578

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E178 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:48])-[H:49].[#7:15](-[#6:16])(-[H:67])-[H]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49].[#8:6](-[#15:7])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N478 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:51])-[H:52].[H]-[#7:15](-[#6:16])-[H:71]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:71])(-[H:51])-[H:52].[H]-[#8:6]-[#15:7]

EVODEX.1-Em514 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16].[H]-[#8:6]-[#15:7]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm465 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16].[H]-[#8:6]-[#15:7]

Source Full Reactions

EVODEX.1-R3317

Full Reaction Rendering

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