1,2-Dichloroethane → HCID 178501538, compound
Reaction equation
[CH2:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH:54]([CH3:55])[CH3:56])[CH3:57].[CH2:58]([Cl:59])[CH2:60][Cl:61].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:1][O:2][C:3]([CH2:4][N:5]1[c:6]2[c:7]([cH:18][cH:19][cH:20][cH:21]2)-[c:8]2[c:9]([cH:14][cH:15][cH:16][cH:17]2)[CH:10]([NH2:13])[C:11]1=[O:12])=[O:22].[CH3:23][CH:24]([C:25](=[O:26])[OH:27])[C:28](=[O:29])[NH:30][CH2:31][C:32]([C:33]([F:34])([F:35])[F:36])([F:37])[F:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][O:2][C:3]([CH2:4][N:5]1[c:6]2[c:7]([cH:18][cH:19][cH:20][cH:21]2)-[c:8]2[c:9]([cH:14][cH:15][cH:16][cH:17]2)[CH:10]([NH:13][C:25]([CH:24]([CH3:23])[C:28](=[O:29])[NH:30][CH2:31][C:32]([C:33]([F:34])([F:35])[F:36])([F:37])[F:38])=[O:26])[C:11]1=[O:12])=[O:22]Participants
7
Sources & evidence
- ORD record
- ord-8df90951faaf4c7c9423f3d234602eb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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