Acetonitrile → HCID 86662640, compound
Reaction equation
[CH2:39]1[CH2:40][O:41][CH2:42][CH2:43][NH:44]1.[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:13]2[cH:14][c:15](-[c:32]3[o:33][c:34]([CH2:37][Cl:38])[n:35][n:36]3)[c:16]3[cH:17][n:18][n:19]([S:22](=[O:23])(=[O:24])[c:25]4[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]4)[c:20]3[cH:21]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH3:12]>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:13]2[cH:14][c:15](-[c:32]3[o:33][c:34]([CH2:37][N:44]4[CH2:39][CH2:40][O:41][CH2:42][CH2:43]4)[n:35][n:36]3)[c:16]3[cH:17][n:18][n:19]([S:22](=[O:23])(=[O:24])[c:25]4[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]4)[c:20]3[cH:21]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH3:12]Participants
4
Sources & evidence
- ORD record
- ord-3a01bc899ae744a2a9abeede1c586d7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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