4-Bromo-3-methylbenzonitrile → HCID 67385926, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[NH:27][CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[CH3:41][c:42]1[cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48][c:49]1[Br:50]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([c:49]3[c:42]([CH3:41])[cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]3)[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1Participants
3
Sources & evidence
- ORD record
- ord-5cc7fab21a094a4399cdddcd10d22de5
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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