Chloride → HCID 178454332, compound
Reaction equation
[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]([c:8]1[n:9][cH:10][c:11]([C:14]([NH:15][OH:16])=[NH:17])[n:12][cH:13]1)[C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH3:25].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl-:45].[Cl:26][C:27](=[O:28])[O:29][CH2:30][CH:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2-[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]21.[Na+:44].[OH2:58].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]([c:8]1[n:9][cH:10][c:11]([C:14]([NH:15][O:16][C:27](=[O:28])[O:29][CH2:30][CH:31]2[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3-[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]32)=[NH:17])[n:12][cH:13]1)[C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH3:25]Participants
8
Sources & evidence
- ORD record
- ord-94906fbed08741ab9e0ab8f859211d89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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