Acetone → HCID 86609856, compound
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:23][N:24]1[CH2:25][CH2:26][C:27]([C:30]#[N:31])([NH:32][c:33]2[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]2)[CH2:28][CH2:29]1.[CH3:40][C:41](=[O:42])[CH3:43].[N:8](=[C:9]=[S:10])[c:11]1[cH:12][c:13]([C:19]([F:20])([F:21])[F:22])[c:14]([C:15]#[N:16])[cH:17][cH:18]1>>[N:8]1([c:11]2[cH:12][c:13]([C:19]([F:20])([F:21])[F:22])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:9](=[S:10])[N:32]([c:33]2[cH:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]2)[C:27]2([CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]2)[C:30]1=[NH:31]Participants
6
Sources & evidence
- ORD record
- ord-8e83477b06da4f929c265c6f7faef791
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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