EVODEX.1-P857

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])([H:97])[H:98])([C:5]([H])([C:6](=[O:7])[S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:58])([C:21]([C:22]([H:59])([H:60])[H:61])([C:23]([H:62])([H:63])[H:64])[C:24]([O:25][P:26](=[O:27])([O:28][H:65])[O:29][P:30](=[O:31])([O:32][H:66])[O:33][C:34]([C@@:35]1([H:67])[O:36][C@:37]([N:38]2:[C:39]([H:68]):[N:40]:[C:41]3:[C:42]([N:43]([H:69])[H:70]):[N:44]:[C:45]([H:71]):[N:46]:[C:47]:2:3)([H:72])[C@@:48]([O:49][H:73])([H:74])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:75])[O:55][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])[H:95].[O:56]=[O:57]>>[C:1]([C:2]([C:3]([C:4](=[C:5]([C:6](=[O:7])[S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:58])([C:21]([C:22]([H:59])([H:60])[H:61])([C:23]([H:62])([H:63])[H:64])[C:24]([O:25][P:26](=[O:27])([O:28][H:65])[O:29][P:30](=[O:31])([O:32][H:66])[O:33][C:34]([C@@:35]1([H:67])[O:36][C@:37]([N:38]2:[C:39]([H:68]):[N:40]:[C:41]3:[C:42]([N:43]([H:69])[H:70]):[N:44]:[C:45]([H:71]):[N:46]:[C:47]:2:3)([H:72])[C@@:48]([O:49][H:73])([H:74])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:75])[O:55][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])[H:95])([H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103].[H][O:56][O:57][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E223 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:49](=[#8:50])-[#6:51](-[#6:52](-[#6:53])(-[H:91])-[H])(-[H:93])-[H].[#8:62]=[#8:63]>>[#6:49](=[#8:50])-[#6:51](=[#6:52](-[#6:53])-[H:91])-[H:93].[#8:62](-[#8:63]-[H])-[H]

EVODEX.1-C102 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-N224 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:51](-[#6:49])(-[#6:52](-[H])(-[#6:53])-[H:91])-[H:93].[#8:62]=[#8:63]>>[#6:49]-[#6:51](=[#6:52](-[#6:53])-[H:91])-[H:93].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Em324 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:51](-[#6:49]=[#8:50])-[#6:52](-[H])-[#6:53].[#8:62]=[#8:63]>>[#6:49](=[#8:50])-[#6:51]=[#6:52]-[#6:53].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Cm127 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Nm308 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:51](-[#6:49])-[#6:52](-[H])-[#6:53].[#8:62]=[#8:63]>>[#6:49]-[#6:51]=[#6:52]-[#6:53].[H]-[#8:62]-[#8:63]-[H]

Source Full Reactions

EVODEX.1-R825

Full Reaction Rendering

[H][C:4]([C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])([H:97])[H:98])([C:5]([H])([C:6](=[O:7])[S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:58])([C:21]([C:22]([H:59])([H:60])[H:61])([C:23]([H:62])([H:63])[H:64])[C:24]([O:25][P:26](=[O:27])([O:28][H:65])[O:29][P:30](=[O:31])([O:32][H:66])[O:33][C:34]([C@@:35]1([H:67])[O:36][C@:37]([N:38]2:[C:39]([H:68]):[N:40]:[C:41]3:[C:42]([N:43]([H:69])[H:70]):[N:44]:[C:45]([H:71]):[N:46]:[C:47]:2:3)([H:72])[C@@:48]([O:49][H:73])([H:74])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:75])[O:55][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])[H:95].[O:56]=[O:57]>>[C:1]([C:2]([C:3]([C:4](=[C:5]([C:6](=[O:7])[S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:58])([C:21]([C:22]([H:59])([H:60])[H:61])([C:23]([H:62])([H:63])[H:64])[C:24]([O:25][P:26](=[O:27])([O:28][H:65])[O:29][P:30](=[O:31])([O:32][H:66])[O:33][C:34]([C@@:35]1([H:67])[O:36][C@:37]([N:38]2:[C:39]([H:68]):[N:40]:[C:41]3:[C:42]([N:43]([H:69])[H:70]):[N:44]:[C:45]([H:71]):[N:46]:[C:47]:2:3)([H:72])[C@@:48]([O:49][H:73])([H:74])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:75])[O:55][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])[H:95])([H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103].[H][O:56][O:57][H]