EVODEX.1-P3784

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E127 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:58])(-[H:59])-[H].[#6:5](-[#6:6](-[#6:7])(-[H:96])-[H:97])(-[H:98])(-[H:99])-[H:100]>>[#6:1](-[#6:2])(-[#6:5](-[H:98])(-[H:99])-[H:100])(-[H:58])-[H:59].[#6:6](-[#6:7])(-[H:96])(-[H:97])-[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-N301 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:58])-[H:59].[#6:5](-[#6:6](-[#6:7])(-[H:96])-[H:97])(-[H:98])(-[H:99])-[H:100]>>[#6:1](-[#6:2])(-[#6:5](-[H:98])(-[H:99])-[H:100])(-[H:58])-[H:59].[H]-[#6:6](-[#6:7])(-[H:96])-[H:97]

EVODEX.1-Em422 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:5]-[#6:6]-[#6:7]>>[#6:1](-[#6:2])-[#6:5].[H]-[#6:6]-[#6:7]

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-Nm382 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:5]-[#6:6]-[#6:7]>>[#6:1](-[#6:2])-[#6:5].[H]-[#6:6]-[#6:7]

Source Full Reactions

EVODEX.1-R4642

Full Reaction Rendering

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