SMIRKS
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:59])([H:60])([H:61])[H:62].[H][O:58][H:101]>>[H]C([H])(C(=O)[O:58][H:101])[C:2]([C:1]([H:60])([H:61])[H:62])([O:3][H])[C:4](=[O:5])[O:6][H:59]
Derived Operators
EVODEX.1-F50 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 2 |
EVODEX.1-M16 - Mass Difference
42.01056
EVODEX.1-E561 - Reaction Operator E
[#8:53]=[#6:54]-[#6:56](=[#8:57])-[#6:58].[#8:52](-[H:106])-[H]>>[#6](-[#6](=[#8])-[#8:52]-[H:106])(-[#6@:56](-[#6:54]=[#8:53])(-[#8:57]-[H])-[#6:58])(-[H])-[H]
EVODEX.1-C371 - Reaction Operator C
[#6:56]=[#8:57].[H]-[#8:61]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61])-[#6:56]-[#8:57]-[H]
EVODEX.1-N434 - Reaction Operator N
[#6:55]-[#6:56](=[#8:57])-[#6:58].[H]-[#8:61]-[H:110]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61]-[H:110])-[#6:56](-[#6:55])(-[#8:57]-[H])-[#6:58]
EVODEX.1-Em481 - Reaction Operator Em
[#6:55]-[#6:56](=[#8:57])-[#6:58]=[#8:59].[H]-[#8:61]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61])-[#6:56](-[#6:55])(-[#8:57]-[H])-[#6:58]=[#8:59]
EVODEX.1-Cm240 - Reaction Operator Cm
[#6:56]=[#8:57].[H]-[#8:61]>>[#6](-[#6]-[#8:61])-[#6:56]-[#8:57]-[H]
EVODEX.1-Nm432 - Reaction Operator Nm
[#6:55]-[#6:56](=[#8:57])-[#6:58].[H]-[#8:61]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61])-[#6:56](-[#6:55])(-[#8:57]-[H])-[#6:58]
Source Full Reactions
EVODEX.1-R2921
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:59])([H:60])([H:61])[H:62].[H][C:7]([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:63])([C:23]([C:24]([H:64])([H:65])[H:66])([C:25]([H:67])([H:68])[H:69])[C:26]([O:27][P:28](=[O:29])([O:30][H:70])[O:31][P:32](=[O:33])([O:34][H:71])[O:35][C:36]([C@@:37]1([H:72])[O:38][C@:39]([N:40]2:[C:41]([H:73]):[N:42]:[C:43]3:[C:44]([N:45]([H:74])[H:75]):[N:46]:[C:47]([H:76]):[N:48]:[C:49]:2:3)([H:77])[C@@:50]([O:51][H:78])([H:79])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:80])[O:57][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][O:58][H:101]>>[H][O:3][C:2]([C:1]([H:60])([H:61])[H:62])([C:4](=[O:5])[O:6][H:59])[C:7]([C:8](=[O:9])[O:58][H:101])([H:98])[H:99].[H][S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:63])([C:23]([C:24]([H:64])([H:65])[H:66])([C:25]([H:67])([H:68])[H:69])[C:26]([O:27][P:28](=[O:29])([O:30][H:70])[O:31][P:32](=[O:33])([O:34][H:71])[O:35][C:36]([C@@:37]1([H:72])[O:38][C@:39]([N:40]2:[C:41]([H:73]):[N:42]:[C:43]3:[C:44]([N:45]([H:74])[H:75]):[N:46]:[C:47]([H:76]):[N:48]:[C:49]:2:3)([H:77])[C@@:50]([O:51][H:78])([H:79])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:80])[O:57][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]