SMIRKS
[O:53]=[C:54]([O:55][H:102])[C:56]([C:57]([C:58]([C:59](=[O:60])[C:61](=[O:62])[O:63][H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109].[H][O:52][H:110]>>[H]C([H])(C(=O)[O:52][H:110])[C:59]([C:58]([C:57]([C:56]([C:54](=[O:53])[O:55][H:102])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([O:60][H])[C:61](=[O:62])[O:63][H:103]
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-R2927
[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:64])([C:17]([C:18]([H:65])([H:66])[H:67])([C:19]([H:68])([H:69])[H:70])[C:20]([O:21][P:22](=[O:23])([O:24][H:71])[O:25][P:26](=[O:27])([O:28][H:72])[O:29][C:30]([C@@:31]1([H:73])[O:32][C@:33]([N:34]2:[C:35]([H:74]):[N:36]:[C:37]3:[C:38]([N:39]([H:75])[H:76]):[N:40]:[C:41]([H:77]):[N:42]:[C:43]:2:3)([H:78])[C@@:44]([O:45][H:79])([H:80])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:81])[O:51][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].[O:53]=[C:54]([O:55][H:102])[C:56]([C:57]([C:58]([C:59](=[O:60])[C:61](=[O:62])[O:63][H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109].[H][O:52][H:110]>>[H][O:60][C:59]([C:1]([C:2](=[O:3])[O:52][H:110])([H:99])[H:100])([C:58]([C:57]([C:56]([C:54](=[O:53])[O:55][H:102])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])[C:61](=[O:62])[O:63][H:103].[H][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:64])([C:17]([C:18]([H:65])([H:66])[H:67])([C:19]([H:68])([H:69])[H:70])[C:20]([O:21][P:22](=[O:23])([O:24][H:71])[O:25][P:26](=[O:27])([O:28][H:72])[O:29][C:30]([C@@:31]1([H:73])[O:32][C@:33]([N:34]2:[C:35]([H:74]):[N:36]:[C:37]3:[C:38]([N:39]([H:75])[H:76]):[N:40]:[C:41]([H:77]):[N:42]:[C:43]:2:3)([H:78])[C@@:44]([O:45][H:79])([H:80])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:81])[O:51][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]