1,2-Dichloroethane → HCID 66755310, compound
Reaction equation
[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:1][c:2]1[c:3]([C:14]([CH2:15][C:16](=[O:17])[OH:18])([CH3:19])[CH3:20])[c:4]([O:9][C:10]([CH2:11][CH3:12])=[O:13])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:65][N:66]([c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1)[CH3:73].[Cl:21][c:22]1[cH:23][cH:24][c:25](-[n:48]2[n:49][n:50][n:51][cH:52]2)[c:26]([CH2:27][NH:28][C:29](=[O:30])[CH:31]2[CH2:32][CH:33]=[N:34][N:35]2[C:36]([CH:37]([OH:38])[c:39]2[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]2)=[O:46])[cH:47]1.[Cl:57][CH2:58][Cl:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[CH3:1][c:2]1[c:3]([C:14]([CH2:15][C:16](=[O:17])[O:18][CH:37]([C:36]([N:35]2[CH:31]([C:29]([NH:28][CH2:27][c:26]3[c:25](-[n:48]4[n:49][n:50][n:51][cH:52]4)[cH:24][cH:23][c:22]([Cl:21])[cH:47]3)=[O:30])[CH2:32][CH:33]=[N:34]2)=[O:46])[c:39]2[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]2)([CH3:19])[CH3:20])[c:4]([O:9][C:10]([CH2:11][CH3:12])=[O:13])[cH:5][c:6]([CH3:8])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-23a176630927474e91b7d4f76fbe970c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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