1,2-Dichloroethane → HCID 178460020, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:29][c:30]2[cH:31][cH:32][c:33]([NH2:36])[cH:34][cH:35]2)[CH2:10][CH2:11][CH:12]1[CH:13]([c:14]1[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]1)[O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28].[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[s:37]1[cH:38][n:39][c:40]([CH:42]([C:43](=[O:44])[OH:45])[CH3:46])[cH:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:29][c:30]2[cH:31][cH:32][c:33]([NH:36][C:43]([CH:42]([c:40]3[n:39][cH:38][s:37][cH:41]3)[CH3:46])=[O:44])[cH:34][cH:35]2)[CH2:10][CH2:11][CH:12]1[CH:13]([c:14]1[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]1)[O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28]Participants
7
Sources & evidence
- ORD record
- ord-6540629145c048e5b67a8db8daf193ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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