1,2-Dichloroethane → HCID 67299972, compound
Reaction equation
[CH2:31]([Cl:32])[CH2:33][Cl:34].[CH3:1][CH:2]([CH:3]([C:4](=[O:5])[OH:6])[NH:7][c:8]1[cH:9][n:10][cH:11][cH:12][cH:13]1)[CH3:14].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:22]2([OH:30])[C:23]([CH3:28])([CH3:29])[CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[CH3:1][CH:2]([CH:3]([C:4](=[O:6])[N:25]1[CH2:24][C:23]([CH3:28])([CH3:29])[C:22]([c:19]2[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]2)([OH:30])[CH2:27][CH2:26]1)[NH:7][c:8]1[cH:9][n:10][cH:11][cH:12][cH:13]1)[CH3:14]Participants
7
Sources & evidence
- ORD record
- ord-b3bc3a05d7dc4cd18e13619d5c550151
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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