1,2-Dichloroethane → HCID 58790091, compound
Reaction equation
[CH2:72]([Cl:73])[CH2:74][Cl:75].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][c:15]3[n:16][cH:17][cH:18][c:19]([O:22][c:23]4[c:24]([F:30])[cH:25][c:26]([NH2:29])[cH:27][cH:28]4)[c:20]3[s:21]2)[cH:11][n:12]1)[CH3:31].[CH3:41][O:42][c:43]1[c:44]([NH:49][C:50]([CH2:51][C:52](=[O:53])[OH:54])=[O:55])[cH:45][cH:46][cH:47][cH:48]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[ClH:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][c:15]3[n:16][cH:17][cH:18][c:19]([O:22][c:23]4[c:24]([F:30])[cH:25][c:26]([NH:29][C:52]([CH2:51][C:50]([NH:49][c:44]5[c:43]([O:42][CH3:41])[cH:48][cH:47][cH:46][cH:45]5)=[O:55])=[O:53])[cH:27][cH:28]4)[c:20]3[s:21]2)[cH:11][n:12]1)[CH3:31]Participants
8
Sources & evidence
- ORD record
- ord-d6eece201a8a408f81d23cf8643995ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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