Acetic Acid → 4-({3-Chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-6-(methylamino)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Reaction equation
[C:40]([BH3-:41])#[N:42].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][CH2:49][OH:50].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([NH:25][c:26]3[cH:27][c:28]([Cl:39])[c:29]([S:32][c:33]4[n:34]([CH3:38])[cH:35][cH:36][n:37]4)[cH:30][cH:31]3)[c:6]([C:23]#[N:24])[cH:7][n:8][c:9]2[cH:10][c:11]1[N:12]1[CH2:13][CH2:14][CH:15]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:16][CH2:17]1.[Na+:43]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([NH:25][c:26]3[cH:27][c:28]([Cl:39])[c:29]([S:32][c:33]4[n:34]([CH3:38])[cH:35][cH:36][n:37]4)[cH:30][cH:31]3)[c:6]([C:23]#[N:24])[cH:7][n:8][c:9]2[cH:10][c:11]1[N:12]1[CH2:13][CH2:14][CH:15]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:16][CH2:17]1)[CH3:40]Participants
6
Sources & evidence
- ORD record
- ord-403781c4fb7144c192699bbce89d1891
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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