EVODEX.1-P1337

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][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:94])[H:95])([H:96])[H:97].[O:52]=[C:53]([O:54][H:99])[C:55]([C:56](=[O:57])[C:58](=[O:59])[O:60][H:100])([H:101])[H:102]>>[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][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:94])[H:95])([C:53](=[O:52])[O:54][H:99])([H:96])[H:97].[H][C:55]([C:56](=[O:57])[C:58](=[O:59])[O:60][H:100])([H:101])[H:102]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E234 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:51]-[#6:52](-[#6:53](=[#8:54])-[#8:55])(-[H:83])-[H:84].[#6:56](-[#6:57])(-[H:104])(-[H:105])-[H]>>[#6:53](=[#8:54])(-[#8:55])-[#6:56](-[#6:57])(-[H:104])-[H:105].[#6:51]-[#6:52](-[H:83])(-[H:84])-[H]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N286 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:24])-[H:25].[#6:10]-[#6:11](-[#6:12](=[#8:13])-[#8:14])(-[H:28])-[H:29]>>[#6:1](-[#6:2])(-[#6:12](=[#8:13])-[#8:14])(-[H:24])-[H:25].[H]-[#6:11](-[#6:10])(-[H:28])-[H:29]

EVODEX.1-Em409 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:10]-[#6:11]-[#6:12](=[#8:13])-[#8:14]>>[#6:1](-[#6:2])-[#6:12](=[#8:13])-[#8:14].[H]-[#6:11]-[#6:10]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm369 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:10]-[#6:11]-[#6:12](=[#8:13])-[#8:14]>>[#6:1](-[#6:2])-[#6:12](=[#8:13])-[#8:14].[H]-[#6:11]-[#6:10]

Source Full Reactions

EVODEX.1-R1856

Full Reaction Rendering

[H][C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][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:94])[H:95])([H:96])[H:97].[O:52]=[C:53]([O:54][H:99])[C:55]([C:56](=[O:57])[C:58](=[O:59])[O:60][H:100])([H:101])[H:102]>>[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][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:94])[H:95])([C:53](=[O:52])[O:54][H:99])([H:96])[H:97].[H][C:55]([C:56](=[O:57])[C:58](=[O:59])[O:60][H:100])([H:101])[H:102]