Ethanol → HCID 178448832, compound
Reaction equation
[CH3:25][CH2:26][OH:27].[CH:28]([Cl:29])([Cl:30])[Cl:31].[Cl:32][CH2:33][Cl:34].[N:12]1=[C:13]([SH:24])[c:14]2[c:15]3[c:16]([cH:17][cH:18][cH:19][c:20]31)[cH:21][cH:22][cH:23]2.[n:1]1[cH:2][cH:3][c:4]([CH:7]([CH2:8][CH2:9][NH2:10])[CH3:11])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH:7]([CH2:8][CH2:9][NH:10][C:13]2=[N:12][c:20]3[c:15]4[c:14]2[cH:23][cH:22][cH:21][c:16]4[cH:17][cH:18][cH:19]3)[CH3:11])[cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-431dd65191b94689820c6a6e0c5db548
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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