1,2-Dichloroethane → HCID 77623868, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[OH:13])[CH2:14][c:15]1[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]1.[CH2:35]([Cl:36])[CH2:37][Cl:38].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][cH:27][c:28]2[c:33]([cH:34]1)[CH2:32][NH:31][CH2:30][CH2:29]2.[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:13])[N:31]1[CH2:30][CH2:29][c:28]2[cH:27][cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:34][c:33]2[CH2:32]1)[CH2:14][c:15]1[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]1Participants
6
Sources & evidence
- ORD record
- ord-21133697f5584a7c9618650dcb85ad9e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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