1,2-Dichloroethane → HCID 178482928, compound
Reaction equation
[CH2:65]([Cl:66])[CH2:67][Cl:68].[CH3:48][N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[CH:26]1([CH2:31][CH:32]([C:33](=[O:34])[OH:35])[CH2:36][N:37]([O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH:46]=[O:47])[CH2:27][CH2:28][CH2:29][CH2:30]1.[Cl:6][c:7]1[n:8][c:9]([NH:24][NH2:25])[c:10]([F:23])[c:11]([N:13]2[C:14]([CH3:21])([CH3:22])[CH:15]([N:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]2)[n:12]1.[ClH:1].[ClH:2].[ClH:3].[ClH:4].[ClH:5].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:55][n:56]1[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:6][c:7]1[n:8][c:9]([NH:24][NH:25][C:33]([CH:32]([CH2:31][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[CH2:36][N:37]([O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH:46]=[O:47])=[O:34])[c:10]([F:23])[c:11]([N:13]2[C:14]([CH3:21])([CH3:22])[CH:15]([N:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]2)[n:12]1Participants
8
Sources & evidence
- ORD record
- ord-2d7b6dcc17f24b61aa51fb32a041d464
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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