1,2-Dichloroethane → HCID 59275245, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]3[c:23]([c:24]([C:34]([NH:35][CH3:36])=[O:37])[c:25](-[c:27]4[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]4)[o:26]3)[cH:38]2)[c:17]1[CH3:18].[CH2:59]([Cl:60])[CH2:61][Cl:62].[CH:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[Cl:73][CH2:74][Cl:75].[ClH:63].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[n:39]1[c:40]([C:45]2([NH2:48])[CH2:46][CH2:47]2)[cH:41][cH:42][cH:43][cH:44]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[NH:48][C:45]2([c:40]3[n:39][cH:44][cH:43][cH:42][cH:41]3)[CH2:46][CH2:47]2)[cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]3[c:23]([c:24]([C:34]([NH:35][CH3:36])=[O:37])[c:25](-[c:27]4[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]4)[o:26]3)[cH:38]2)[c:17]1[CH3:18]Participants
8
Sources & evidence
- ORD record
- ord-6da37cae038042beba49b341c12017f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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