Acetic Acid → 7-[4-[[2-(Benzenesulfonyl)ethylamino]methyl]phenyl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

HRID 2315541Notes

Reaction equation

HRID 2315541 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:62]([Cl:63])[Cl:64].[CH3:58][C:59](=[O:60])[OH:61].[Cl:13][c:14]1[c:15]([NH:16][c:17]2[c:18]([C:35]#[N:36])[cH:19][n:20][c:21]3[cH:22][c:23](-[c:27]4[cH:28][cH:29][c:30]([CH:33]=[O:34])[cH:31][cH:32]4)[cH:24][cH:25][c:26]23)[cH:37][c:38]([O:42][CH3:43])[c:39]([Cl:41])[cH:40]1.[Na+:57].[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][NH2:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][NH:12][CH2:33][c:30]2[cH:29][cH:28][c:27](-[c:23]3[cH:22][c:21]4[n:20][cH:19][c:18]([C:35]#[N:36])[c:17]([NH:16][c:15]5[c:14]([Cl:13])[cH:40][c:39]([Cl:41])[c:38]([O:42][CH3:43])[cH:37]5)[c:26]4[cH:25][cH:24]3)[cH:32][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 35454972-(Benzenesulfonyl)ethan-1-amineHCID 101146554-(2,4-Dichloro-5-methoxyanilino)-7-(4-formylphenyl)quinoline-3-carbonitrile

Product 1

HCID 234381277-[4-[[2-(Benzenesulfonyl)ethylamino]methyl]phenyl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-17486ba089eb49388f1370bf24c4d773
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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