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

HRID 2130701Notes

Reaction equation

HRID 2130701 reaction equation
[C:47]([BH3-:48])#[N:49].[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][C:44](=[O:45])[OH:46].[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.[Cl:51][CH2:52][Cl:53].[Na+:50]>>[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:40]5[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]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

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 498716Cyano-borohydrideHCID 23437822HCID 23437822, compound

Product 1

HCID 234378434-[3-Chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-61bb4944dfb3466ba47422865d87d697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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