1,2-Dichloroethane → HCID 178454346, compound
Reaction equation
[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH3:23][C:24]([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]([c:31]1[nH:32][c:33]([C:37](=[O:38])[OH:39])[c:34]([Cl:36])[n:35]1)[C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[NH2:1][CH2:2][c:3]1[c:4]([F:22])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH:19]3[CH2:20][CH2:21]3)[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[NH:1]([CH2:2][c:3]1[c:4]([F:22])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH:19]3[CH2:20][CH2:21]3)[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:37]([c:33]1[nH:32][c:31]([N:30]([C:28]([O:27][C:24]([CH3:23])([CH3:25])[CH3:26])=[O:29])[C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[n:35][c:34]1[Cl:36])=[O:38]Participants
7
Sources & evidence
- ORD record
- ord-b71d78a2db004b11b0976bc96f86621f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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