1,2-Dichloroethane → HCID 9977517, compound
Reaction equation
[CH2:33]([CH3:34])[NH:35][CH2:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH2:55]([Cl:56])[CH2:57][Cl:58].[CH3:1][C:2]([C:3](=[O:4])[c:5]1[n:6][n:7]([CH2:16][C:17](=[O:18])[OH:19])[c:8]2[cH:9][c:10]([O:14][CH3:15])[cH:11][cH:12][c:13]12)([CH3:20])[CH3:21].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:32].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[CH3:1][C:2]([C:3](=[O:4])[c:5]1[n:6][n:7]([CH2:16][C:17](=[O:18])[N:35]([CH2:33][CH3:34])[CH2:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:8]2[cH:9][c:10]([O:14][CH3:15])[cH:11][cH:12][c:13]12)([CH3:20])[CH3:21]Participants
8
Sources & evidence
- ORD record
- ord-1282fbbdd4414423b52bd0b064def66f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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