Chloride → HCID 67164887, compound
Reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[NH:38][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[OH:45].[C:46](=[O:47])([O-:48])[OH:49].[CH3:13][n:14]1[cH:15][cH:16][n:17][cH:18]1.[CH3:51][C:52]#[N:53].[Cl-:19].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:12])[cH:10][cH:11]1.[Na+:50].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[C:43]([CH2:42][CH2:41][CH2:40][CH2:39][NH:38][C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])=[O:44]Participants
9
Sources & evidence
- ORD record
- ord-c3c494f417534734a3aa56a6b3038dbe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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