Acetic Acid → 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{5-[(4-methylpiperazin-1-yl)methyl]furan-3-yl}quinoline-3-carbonitrile

HRID 213681Notes

Reaction equation

HRID 213681 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:54][C:55](=[O:56])[OH:57].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]([C:31]#[N:32])[cH:14][n:15][c:16]3[cH:17][c:18](-[c:24]4[cH:25][o:26][c:27]([CH:29]=[O:30])[cH:28]4)[c:19]([O:22][CH3:23])[cH:20][c:21]23)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1.[Cl:58][CH2:59][Cl:60].[Na+:53]>>[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]([C:31]#[N:32])[cH:14][n:15][c:16]3[cH:17][c:18](-[c:24]4[cH:25][o:26][c:27]([CH2:29][N:37]5[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]5)[cH:28]4)[c:19]([O:22][CH3:23])[cH:20][c:21]23)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 11590865HCID 11590865, compound

Product 1

HCID 113418694-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{5-[(4-methylpiperazin-1-yl)methyl]furan-3-yl}quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-51f106371c5d4c50a70e1093746676b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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