1,2-Dichloroethane → HCID 178521727, compound
Reaction equation
[C:23](=[O:24])([OH:25])[O-:26].[CH2:19]([Cl:20])[CH2:21][Cl:22].[F:1][C:2]1([F:8])[CH:3]([C:5](=[O:6])[OH:7])[CH2:4]1.[Na+:27].[O:28]1[CH2:29][CH2:30][N:31]([c:34]2[cH:35][c:36]3[c:37]([nH:38][c:39](-[c:41]4[n:42][n:43]([CH:51]5[O:52][CH2:53][CH2:54][CH2:55][CH2:56]5)[c:44]5[cH:45][cH:46][c:47]([NH2:50])[cH:48][c:49]45)[n:40]3)[cH:57][cH:58]2)[CH2:32][CH2:33]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[n:9]1([OH:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[n:17][n:18]1>>[F:1][C:2]1([F:8])[CH:3]([C:5](=[O:6])[NH:50][c:47]2[cH:46][cH:45][c:44]3[n:43]([CH:51]4[O:52][CH2:53][CH2:54][CH2:55][CH2:56]4)[n:42][c:41](-[c:39]4[nH:38][c:37]5[c:36]([cH:35][c:34]([N:31]6[CH2:30][CH2:29][O:28][CH2:33][CH2:32]6)[cH:58][cH:57]5)[n:40]4)[c:49]3[cH:48]2)[CH2:4]1Participants
8
Sources & evidence
- ORD record
- ord-163d7aade765498a9405948644697a3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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