HCID 58392361, compound → HCID 58392495, compound
Reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH:8]([c:9]1[cH:10][nH:11][c:12]2[c:13]([CH2:18][S:19][CH3:20])[cH:14][cH:15][cH:16][c:17]12)[c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:26][cH:27][s:28]2)[cH:29]1)(=[O:4])=[O:5].[Cl:30][c:31]1[cH:32][cH:33][c:34]([CH:35]([c:36]2[c:37]3[c:38]([c:39]([CH2:42][S:43][CH3:44])[c:45]([F:46])[cH:47][cH:48]3)[nH:49][cH:50]2)[CH2:51][CH2:52][C:40]#[N:41])[cH:53][cH:54]1>>[CH2:6]([CH2:7][CH:8]([c:9]1[cH:10][nH:11][c:12]2[c:13]([CH2:18][S:19][CH3:20])[cH:14][cH:15][cH:16][c:17]12)[c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:26][cH:27][s:28]2)[cH:29]1)[C:40]#[N:41]Participants
3
Sources & evidence
- ORD record
- ord-7a2858190ea945d28d92cd2188bd70b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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