1,2-Dichloroethane → HCID 178458695, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][CH:5]1[CH2:6][CH:7]([NH:16][CH2:17][CH:18]([CH:19]([CH2:20][c:21]2[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]2)[NH2:29])[OH:30])[c:8]2[cH:9][c:10]([O:14][CH3:15])[cH:11][cH:12][c:13]21.[CH2:31]([CH2:32][CH2:33][CH3:34])[CH:35]1[C:36](=[O:47])[N:37]([CH:40]([C:41](=[O:42])[OH:43])[CH2:44][CH:45]=[CH2:46])[CH2:38][CH2:39]1.[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:52][n:53]1[c:54]2[c:55]([cH:56][cH:57][cH:58][cH:59]2)[n:60][n:61]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][CH:5]1[CH2:6][CH:7]([NH:16][CH2:17][CH:18]([CH:19]([CH2:20][c:21]2[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]2)[NH:29][C:41]([CH:40]([N:37]2[C:36](=[O:47])[CH:35]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:39][CH2:38]2)[CH2:44][CH:45]=[CH2:46])=[O:42])[OH:30])[c:8]2[cH:9][c:10]([O:14][CH3:15])[cH:11][cH:12][c:13]21Participants
7
Sources & evidence
- ORD record
- ord-1f81497a5aba42d5a6d80d83e893c859
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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