EVODEX.1-P1338

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:61])([H:62])[H:63].[C:7]([C:8]([C:9]([H:65])([H:66])[H:67])([C:10]([O:11][P:12](=[O:13])([O:14][H:68])[O:15][P:16](=[O:17])([O:18][H:69])[O:19][C:20]([C@@:21]1([H:70])[O:22][C@:23]([N:24]2:[C:25]([H:71]):[N:26]:[C:27]3:[C:28]([N:29]([H:72])[H:73]):[N:30]:[C:31]([H:74]):[N:32]:[C:33]:2:3)([H:75])[C@@:34]([O:35][H:76])([H:77])[C@@:36]1([O:37][P:38](=[O:39])([O:40][H:78])[O:41][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[C@@:42]([O:43][H:85])([C:44](=[O:45])[N:46]([C:47]([C:48]([C:49](=[O:50])[N:51]([C:52]([C:53]([S:54][C:55](=[O:56])[C:57]([C:58](=[O:59])[O:60][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])([H:101])[H:102]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:61])([C:58](=[O:59])[O:60][H:86])([H:62])[H:63].[H][C:57]([C:55]([S:54][C:53]([C:52]([N:51]([C:49]([C:48]([C:47]([N:46]([C:44]([C@@:42]([C:8]([C:7]([H:100])([H:101])[H:102])([C:9]([H:65])([H:66])[H:67])[C:10]([O:11][P:12](=[O:13])([O:14][H:68])[O:15][P:16](=[O:17])([O:18][H:69])[O:19][C:20]([C@@:21]1([H:70])[O:22][C@:23]([N:24]2:[C:25]([H:71]):[N:26]:[C:27]3:[C:28]([N:29]([H:72])[H:73]):[N:30]:[C:31]([H:74]):[N:32]:[C:33]:2:3)([H:75])[C@@:34]([O:35][H:76])([H:77])[C@@:36]1([O:37][P:38](=[O:39])([O:40][H:78])[O:41][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([O:43][H:85])[H:99])=[O:45])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:50])[H:93])([H:91])[H:92])([H:89])[H:90])=[O:56])([H:87])[H:88]

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-R1857

Full Reaction Rendering

[H][C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:61])([H:62])[H:63].[C:7]([C:8]([C:9]([H:65])([H:66])[H:67])([C:10]([O:11][P:12](=[O:13])([O:14][H:68])[O:15][P:16](=[O:17])([O:18][H:69])[O:19][C:20]([C@@:21]1([H:70])[O:22][C@:23]([N:24]2:[C:25]([H:71]):[N:26]:[C:27]3:[C:28]([N:29]([H:72])[H:73]):[N:30]:[C:31]([H:74]):[N:32]:[C:33]:2:3)([H:75])[C@@:34]([O:35][H:76])([H:77])[C@@:36]1([O:37][P:38](=[O:39])([O:40][H:78])[O:41][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[C@@:42]([O:43][H:85])([C:44](=[O:45])[N:46]([C:47]([C:48]([C:49](=[O:50])[N:51]([C:52]([C:53]([S:54][C:55](=[O:56])[C:57]([C:58](=[O:59])[O:60][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])([H:101])[H:102]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:61])([C:58](=[O:59])[O:60][H:86])([H:62])[H:63].[H][C:57]([C:55]([S:54][C:53]([C:52]([N:51]([C:49]([C:48]([C:47]([N:46]([C:44]([C@@:42]([C:8]([C:7]([H:100])([H:101])[H:102])([C:9]([H:65])([H:66])[H:67])[C:10]([O:11][P:12](=[O:13])([O:14][H:68])[O:15][P:16](=[O:17])([O:18][H:69])[O:19][C:20]([C@@:21]1([H:70])[O:22][C@:23]([N:24]2:[C:25]([H:71]):[N:26]:[C:27]3:[C:28]([N:29]([H:72])[H:73]):[N:30]:[C:31]([H:74]):[N:32]:[C:33]:2:3)([H:75])[C@@:34]([O:35][H:76])([H:77])[C@@:36]1([O:37][P:38](=[O:39])([O:40][H:78])[O:41][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([O:43][H:85])[H:99])=[O:45])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:50])[H:93])([H:91])[H:92])([H:89])[H:90])=[O:56])([H:87])[H:88]