EVODEX.1-P3636

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:50]):[N:4]([C@@:5]2([H:51])[C:6]([H:52])([H:53])[C@@:7]([O:8][H:54])([H:55])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:56])[O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][P:24](=[O:25])([O:26][H:59])[O:27][H:60])([H:61])[H:62])([H:63])[O:28]2):[C:29](=[O:30]):[N:31]([H:64]):[C:32]:1=[O:33])([H:65])([H:66])[H:67].[H][O:36][P:35](=[O:34])([O:37][H:69])[O:38][C@@:39]1([H:70])[O:40][C@@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[C@:44]([O:45][H:75])([H:76])[C@@:46]([O:47][H:77])([H:78])[C@:48]1([O:49][H:79])[H:80]>>[C:1]([C:2]1:[C:3]([H:50]):[N:4]([C@@:5]2([H:51])[C:6]([H:52])([H:53])[C@@:7]([O:8][H:54])([H:55])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:56])[O:36][P:35](=[O:34])([O:37][H:69])[O:38][C@@:39]3([H:70])[O:40][C@@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[C@:44]([O:45][H:75])([H:76])[C@@:46]([O:47][H:77])([H:78])[C@:48]3([O:49][H:79])[H:80])([H:61])[H:62])([H:63])[O:28]2):[C:29](=[O:30]):[N:31]([H:64]):[C:32]:1=[O:33])([H:65])([H:66])[H:67].[H][O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][P:24](=[O:25])([O:26][H:59])[O:27][H:60]

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-R4405

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:50]):[N:4]([C@@:5]2([H:51])[C:6]([H:52])([H:53])[C@@:7]([O:8][H:54])([H:55])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:56])[O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][P:24](=[O:25])([O:26][H:59])[O:27][H:60])([H:61])[H:62])([H:63])[O:28]2):[C:29](=[O:30]):[N:31]([H:64]):[C:32]:1=[O:33])([H:65])([H:66])[H:67].[H][O:36][P:35](=[O:34])([O:37][H:69])[O:38][C@@:39]1([H:70])[O:40][C@@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[C@:44]([O:45][H:75])([H:76])[C@@:46]([O:47][H:77])([H:78])[C@:48]1([O:49][H:79])[H:80]>>[C:1]([C:2]1:[C:3]([H:50]):[N:4]([C@@:5]2([H:51])[C:6]([H:52])([H:53])[C@@:7]([O:8][H:54])([H:55])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:56])[O:36][P:35](=[O:34])([O:37][H:69])[O:38][C@@:39]3([H:70])[O:40][C@@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[C@:44]([O:45][H:75])([H:76])[C@@:46]([O:47][H:77])([H:78])[C@:48]3([O:49][H:79])[H:80])([H:61])[H:62])([H:63])[O:28]2):[C:29](=[O:30]):[N:31]([H:64]):[C:32]:1=[O:33])([H:65])([H:66])[H:67].[H][O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][P:24](=[O:25])([O:26][H:59])[O:27][H:60]