EVODEX.1-P2062

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:53])[O:8][H:54])([H:55])([H:56])[H:57].[H][S:52][C:51]([C:50]([N:49]([C:47]([C:46]([C:45]([N:44]([C:42]([C@@:40]([C:10]([C:9]([H:90])([H:91])[H:92])([C:11]([H:58])([H:59])[H:60])[C:12]([O:13][P:14](=[O:15])([O:16][H:61])[O:17][P:18](=[O:19])([O:20][H:62])[O:21][C:22]([C@@:23]1([H:63])[O:24][C@:25]([N:26]2:[C:27]([H:64]):[N:28]:[C:29]3:[C:30]([N:31]([H:65])[H:66]):[N:32]:[C:33]([H:67]):[N:34]:[C:35]:2:3)([H:68])[C@@:36]([O:37][H:69])([H:70])[C@@:38]1([O:39][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([O:41][H:77])[H:89])=[O:43])[H:88])([H:86])[H:87])([H:84])[H:85])=[O:48])[H:83])([H:81])[H:82])([H:79])[H:80]>>[C:1]([C:2](=[O:3])[S:52][C:51]([C:50]([N:49]([C:47]([C:46]([C:45]([N:44]([C:42]([C@@:40]([C:10]([C:9]([H:90])([H:91])[H:92])([C:11]([H:58])([H:59])[H:60])[C:12]([O:13][P:14](=[O:15])([O:16][H:61])[O:17][P:18](=[O:19])([O:20][H:62])[O:21][C:22]([C@@:23]1([H:63])[O:24][C@:25]([N:26]2:[C:27]([H:64]):[N:28]:[C:29]3:[C:30]([N:31]([H:65])[H:66]):[N:32]:[C:33]([H:67]):[N:34]:[C:35]:2:3)([H:68])[C@@:36]([O:37][H:69])([H:70])[C@@:38]1([O:39][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([O:41][H:77])[H:89])=[O:43])[H:88])([H:86])[H:87])([H:84])[H:85])=[O:48])[H:83])([H:81])[H:82])([H:79])[H:80])([H:55])([H:56])[H:57].[H][O:4][P:5](=[O:6])([O:7][H:53])[O:8][H:54]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E239 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[#15:64]-[#8:67]-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N1087 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:50]-[#6:51](=[#8:52])-[#8:53]-[#15:54]>>[#6:47]-[#16:48]-[#6:51](-[#6:50])=[#8:52].[H]-[#8:53]-[#15:54]

EVODEX.1-Em452 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[H]-[#8:67]-[#15:64]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm405 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[H]-[#8:67]-[#15:64]

Source Full Reactions

EVODEX.1-R2721

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:53])[O:8][H:54])([H:55])([H:56])[H:57].[H][S:52][C:51]([C:50]([N:49]([C:47]([C:46]([C:45]([N:44]([C:42]([C@@:40]([C:10]([C:9]([H:90])([H:91])[H:92])([C:11]([H:58])([H:59])[H:60])[C:12]([O:13][P:14](=[O:15])([O:16][H:61])[O:17][P:18](=[O:19])([O:20][H:62])[O:21][C:22]([C@@:23]1([H:63])[O:24][C@:25]([N:26]2:[C:27]([H:64]):[N:28]:[C:29]3:[C:30]([N:31]([H:65])[H:66]):[N:32]:[C:33]([H:67]):[N:34]:[C:35]:2:3)([H:68])[C@@:36]([O:37][H:69])([H:70])[C@@:38]1([O:39][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([O:41][H:77])[H:89])=[O:43])[H:88])([H:86])[H:87])([H:84])[H:85])=[O:48])[H:83])([H:81])[H:82])([H:79])[H:80]>>[C:1]([C:2](=[O:3])[S:52][C:51]([C:50]([N:49]([C:47]([C:46]([C:45]([N:44]([C:42]([C@@:40]([C:10]([C:9]([H:90])([H:91])[H:92])([C:11]([H:58])([H:59])[H:60])[C:12]([O:13][P:14](=[O:15])([O:16][H:61])[O:17][P:18](=[O:19])([O:20][H:62])[O:21][C:22]([C@@:23]1([H:63])[O:24][C@:25]([N:26]2:[C:27]([H:64]):[N:28]:[C:29]3:[C:30]([N:31]([H:65])[H:66]):[N:32]:[C:33]([H:67]):[N:34]:[C:35]:2:3)([H:68])[C@@:36]([O:37][H:69])([H:70])[C@@:38]1([O:39][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([O:41][H:77])[H:89])=[O:43])[H:88])([H:86])[H:87])([H:84])[H:85])=[O:48])[H:83])([H:81])[H:82])([H:79])[H:80])([H:55])([H:56])[H:57].[H][O:4][P:5](=[O:6])([O:7][H:53])[O:8][H:54]