EVODEX.1-P1605

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])[O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E306 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6].[#7:53]-[#6@@:54](-[#6:55]-[#6:56]-[#8:57]-[H])(-[#6:58])-[H:107]>>[#6:2]-[#6:3](=[#8:4])-[#8:57]-[#6:56]-[#6:55]-[#6@:54](-[#7:53])(-[#6:58])-[H:107].[#16:5](-[#6:6])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N1 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23].[H]-[#8:92]-[#6:91]>>[#6:19]-[#6:20](=[#8:21])-[#8:92]-[#6:91].[H]-[#16:22]-[#6:23]

EVODEX.1-Em43 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19].[H]-[#8:77]-[#6:76]>>[#6:15]-[#6:16](=[#8:17])-[#8:77]-[#6:76].[H]-[#16:18]-[#6:19]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm31 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23].[H]-[#8:92]-[#6:91]>>[#6:19]-[#6:20](=[#8:21])-[#8:92]-[#6:91].[H]-[#16:22]-[#6:23]

Source Full Reactions

EVODEX.1-R2156

Full Reaction Rendering

[H][O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])[O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]