Acetic Acid → 3-Methyl-N-(4-benzylamino-3-cyanoquinolin-2-yl)benzamide

HRID 686382Notes

Reaction equation

HRID 686382 reaction equation
[C:44](=[O:45])([O-:46])[OH:47].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([c:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]([NH:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:17]2[C:18]#[N:19])[C:28](=[O:29])[c:30]2[cH:31][cH:32][cH:33][c:34]([CH3:35])[cH:36]2)[cH:37][cH:38][cH:39]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:49][C:50]#[N:51].[Na+:48]>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]([NH:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:17]2[C:18]#[N:19])[cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 11156487HCID 11156487, compound

Product 1

HCID 99085263-Methyl-N-(4-benzylamino-3-cyanoquinolin-2-yl)benzamide

Sources & evidence

ORD record
ord-388f270dc45a4822957b4027f13b52e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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