Citric Acid → HCID 69082309, compound
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20]([CH2:21][O:22][CH:23]([CH2:24][CH2:25][OH:26])[CH3:27])=[O:28].[C:1]([O:2][C:3](=[O:4])[CH2:5][O:6][CH2:7][CH2:8][CH:9]([OH:10])[CH3:11])([CH3:12])([CH3:13])[CH3:14].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[Cl:29][c:30]1[c:31]2[c:32]([n:33][cH:34][n:35]1)[o:36][c:37](-[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:38]2-[c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]1.[OH2:71].[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65]>>[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20]([CH2:21][O:22][CH:23]([CH2:24][CH2:25][O:26][c:30]1[c:31]2[c:32]([n:33][cH:34][n:35]1)[o:36][c:37](-[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:38]2-[c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]1)[CH3:27])=[O:28]Participants
7
Sources & evidence
- ORD record
- ord-d5b338f319fb4d7ba458a8ff019b7df1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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