Acetic Acid → 4-[3-Chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile

HRID 2320321Notes

Reaction equation

HRID 2320321 reaction equation
[C:46]([BH3-:47])#[N:48].[CH2:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]1.[CH2:58]([Cl:59])[Cl:60].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][CH2:51][OH:52].[Cl:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[c:7]([C:24]#[N:25])[cH:8][n:9][c:10]3[cH:11][c:12](-[c:16]4[cH:17][cH:18][c:19]([CH:22]=[O:23])[cH:20][cH:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27][c:28]1[S:29][c:30]1[n:31]([CH3:35])[cH:32][cH:33][n:34]1.[Na+:49].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[c:7]([C:24]#[N:25])[cH:8][n:9][c:10]3[cH:11][c:12](-[c:16]4[cH:17][cH:18][c:19]([CH2:22][N:41]5[CH2:36][CH2:37][O:38][CH2:39][CH2:40]5)[cH:20][cH:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27][c:28]1[S:29][c:30]1[n:31]([CH3:35])[cH:32][cH:33][n:34]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8083MorpholineHCID 498716Cyano-borohydrideHCID 23437822HCID 23437822, compound

Product 1

HCID 234382744-[3-Chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-70c60e4eeb2b4379aae7d96c2945c3ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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