Chloride → HCID 58406426, compound
Reaction equation
[CH3:8][c:9]1[n:10][o:11][cH:12][c:13]1[C:14](=[O:15])[OH:16].[Cl-:1].[Cl:17][c:18]1[cH:19][cH:20][c:21]([C:24]23[N:25]([C:26](=[O:38])[c:27]4[n:28]([cH:30][c:31]([C:33](=[O:34])[N:35]([CH3:36])[CH3:37])[cH:32]4)[CH2:29]2)[CH2:39][CH2:40][NH:41]3)[cH:22][cH:23]1.[Cl:2][C:3]([C:4]([Cl:5])=[O:6])=[O:7].[Cl:42][CH2:43][Cl:44].[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH3:8][c:9]1[n:10][o:11][cH:12][c:13]1[C:14](=[O:16])[N:41]1[C:24]2([c:21]3[cH:20][cH:19][c:18]([Cl:17])[cH:23][cH:22]3)[N:25]([C:26](=[O:38])[c:27]3[n:28]([cH:30][c:31]([C:33](=[O:34])[N:35]([CH3:36])[CH3:37])[cH:32]3)[CH2:29]2)[CH2:39][CH2:40]1Participants
10
Sources & evidence
- ORD record
- ord-829ad6d6b8be43dd8a739325b671e03a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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