1,2-Dichloroethane → HCID 178514488, compound
Reaction equation
[CH2:40]([Cl:41])[CH2:42][Cl:43].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:54][CH2:55][Cl:56].[F:16][C:17]([c:18]1[cH:19][c:20]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30]1)([F:31])[F:32].[N:1](=[N+:2]=[N-:3])[CH:4]1[CH:5]([N:10]2[CH2:11][CH:12]([NH2:15])[CH2:13][CH2:14]2)[CH2:6][CH2:7][CH2:8][CH2:9]1.[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[N:1](=[N+:2]=[N-:3])[CH:4]1[CH:5]([N:10]2[CH2:11][CH:12]([NH:15][C:25]([CH2:24][NH:23][C:21]([c:20]3[cH:19][c:18]([C:17]([F:16])([F:31])[F:32])[cH:30][cH:29][cH:28]3)=[O:22])=[O:26])[CH2:13][CH2:14]2)[CH2:6][CH2:7][CH2:8][CH2:9]1Participants
8
Sources & evidence
- ORD record
- ord-9359643b6708412ca8868ca08f431fad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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