Ethanol → HCID 24777318, compound
Reaction equation
[CH2:37]([OH:38])[CH3:39].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][c:11]1[C:12]#[N:13])[C:8](=[O:14])[CH2:7][C:6]([CH3:15])([CH3:16])[CH2:5]2.[OH2:36].[c:17]1([N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[c:2]1([N:26]2[CH2:25][CH2:24][N:23]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:28][CH2:27]2)[n:3][c:4]2[c:9]([cH:10][c:11]1[C:12]#[N:13])[C:8](=[O:14])[CH2:7][C:6]([CH3:15])([CH3:16])[CH2:5]2Participants
6
Sources & evidence
- ORD record
- ord-86775bf81f394c2db50b600e86ecc4ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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