Acetyl chloride → N-[4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-3-cyano-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinolin-6-yl]acetamide

HRID 2346912Notes

Reaction equation

HRID 2346912 reaction equation
[CH2:40]([N:41]([CH2:42][CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH3:50].[CH3:51][C:52]([Cl:53])=[O:54].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:38]#[N:39])[cH:18][n:19][c:20]3[cH:21][c:22]([N:27]4[CH2:28][CH2:29][CH:30]([N:33]5[CH2:34][CH2:35][CH2:36][CH2:37]5)[CH2:31][CH2:32]4)[c:23]([NH2:26])[cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:38]#[N:39])[cH:18][n:19][c:20]3[cH:21][c:22]([N:27]4[CH2:28][CH2:29][CH:30]([N:33]5[CH2:34][CH2:35][CH2:36][CH2:37]5)[CH2:31][CH2:32]4)[c:23]([NH:26][C:52]([CH3:51])=[O:54])[cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1

Participants

5

Reactant 4

HCID 6367Acetyl chlorideHCID 7061N,N-DiethylanilineHCID 13387N-methyl-2-pyrrolidoneHCID 68460429HCID 68460429, compound

Product 1

HCID 68458845N-[4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-3-cyano-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinolin-6-yl]acetamide

Sources & evidence

ORD record
ord-0c3a67187df24db9b745ed676590b0ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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