Acetonitrile → HCID 20431222, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH:12]([CH2:13][N:14]2[CH2:15][CH:16]([CH3:21])[O:17][CH:18]([CH3:20])[CH2:19]2)[CH3:22])[OH:23])[cH:9][cH:10]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:42][C:43]#[N:44].[Cl:31][c:32]1[cH:33][c:34]([N:39]=[C:40]=[O:41])[cH:35][cH:36][c:37]1[Cl:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH:12]([CH2:13][N:14]2[CH2:15][CH:16]([CH3:21])[O:17][CH:18]([CH3:20])[CH2:19]2)[CH3:22])[O:23][C:40]([NH:39][c:34]2[cH:33][c:32]([Cl:31])[c:37]([Cl:38])[cH:36][cH:35]2)=[O:41])[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-9c60ee00443b451c9ad7097f960f4b5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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