Citric Acid → HCID 59696343, compound
Reaction equation
[CH2:25]1[CH2:26][CH2:27][C:28]2=[N:33][CH2:32][CH2:31][CH2:30][N:29]2[CH2:34][CH2:35]1.[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[Br:43].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([I:24])[c:8]2[cH:9][c:10]([CH2:16][c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:11][n:12][c:13]2[c:14]1[OH:15].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Na+:61].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56].[S:57]([O-:58])([OH:59])=[O:60]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([I:24])[c:8]2[cH:9][c:10]([CH2:16][c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:11][n:12][c:13]2[c:14]1[O:15][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1Participants
8
Sources & evidence
- ORD record
- ord-76c814121d6f4a9bbd80338665e94cd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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