Acetate → HCID 23152690, compound
Reaction equation
[CH3:36][C:37](=[O:38])[O-:39].[CH3:40][C:41](=[O:42])[OH:43].[Cl:44][CH2:45][C:46](=[O:47])[Cl:48].[NH2:1][c:2]1[c:3](-[c:16]2[nH:17][c:18]3[cH:19][c:20]([C:31](=[O:32])[O:33][CH3:34])[cH:21][cH:22][c:23]3[c:24]2[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7]1.[Na+:35].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:54]>>[NH:1]([c:2]1[c:3](-[c:16]2[nH:17][c:18]3[cH:19][c:20]([C:31](=[O:32])[O:33][CH3:34])[cH:21][cH:22][c:23]3[c:24]2[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7]1)[C:46]([CH2:45][Cl:44])=[O:47]Participants
8
Sources & evidence
- ORD record
- ord-f7713e4250f94cf2b666964a0081d393
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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