HCID 11542841, compound → HCID 22649299, compound
Reaction equation
[Br:13][c:14]1[c:15]([O:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[c:24]([O:27][CH3:28])[cH:25][c:26]23)[cH:37][cH:38][c:39]([F:41])[cH:40]1.[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][CH2:9][CH2:10][C:11]#[CH:12])[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][CH2:9][CH2:10][C:11]#[C:12][c:23]2[cH:22][c:21]3[n:20][cH:19][n:18][c:17]([O:16][c:15]4[c:14]([Br:13])[cH:40][c:39]([F:41])[cH:38][cH:37]4)[c:26]3[cH:25][c:24]2[O:27][CH3:28])[CH2:5][CH2:6]1Participants
3
Sources & evidence
- ORD record
- ord-ae363d568e8d4785835bde98285ccf2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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