Citric Acid → HCID 19756390, compound
Reaction equation
[CH2:5]([CH3:6])[c:7]1[n:8][c:9]2[cH:10][cH:11][c:12]([O:55][CH2:56][CH2:57][OH:58])[n:13][c:14]2[c:15]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34]([C:36]([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)([c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[c:49]5[cH:50][cH:51][cH:52][cH:53][cH:54]5)[n:35]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[cH:16]1.[CH3:1][S:2]([CH3:3])=[O:4].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:79][CH2:80][Cl:81].[OH:66][C:67]([CH2:68][C:69]([C:70](=[O:71])[OH:72])([CH2:73][C:74](=[O:75])[OH:76])[OH:77])=[O:78]>>[CH2:5]([CH3:6])[c:7]1[n:8][c:9]2[cH:10][cH:11][c:12]([O:55][CH2:56][CH:57]=[O:58])[n:13][c:14]2[c:15]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34]([C:36]([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)([c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[c:49]5[cH:50][cH:51][cH:52][cH:53][cH:54]5)[n:35]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[cH:16]1Participants
6
Sources & evidence
- ORD record
- ord-acefbe30addf48078d79414e2f986923
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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