Acetate → HCID 58494061, compound
Reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[CH3:32][C:33](=[O:34])[O-:35].[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([CH2:25][CH3:26])[c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[NH:36]1[CH2:37][CH:38]([C:40](=[O:41])[O:42][CH3:43])[CH2:39]1.[Na+:31]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([CH2:25][CH3:26])[c:19]([CH2:20][N:36]4[CH2:37][CH:38]([C:40](=[O:41])[O:42][CH3:43])[CH2:39]4)[cH:22][cH:23][cH:24]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]Participants
7
Sources & evidence
- ORD record
- ord-f714517915b04bea8125a41b7bb8a317
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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