Acetic Acid → HCID 67414470, compound

HRID 157447Notes

Reaction equation

[CH3:42][C:43](=[O:44])[OH:45].[NH2:1][c:2]1[n:3][c:4]([S:27][CH2:28][c:29]2[n:30][c:31](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[o:32][cH:33]2)[c:5]([C:25]#[N:26])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH:18]3[O:19][C:20]([CH3:23])([CH3:24])[O:21][CH2:22]3)[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[OH2:41]>>[NH2:1][c:2]1[n:3][c:4]([S:27][CH2:28][c:29]2[n:30][c:31](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[o:32][cH:33]2)[c:5]([C:25]#[N:26])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH:18]([OH:19])[CH2:22][OH:21])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]

Participants

Reactant 3

HCID 176Acetic Acid

HCID 962Water

HCID 706408212-Amino-6-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]pyridine-3,5-dicarbonitrile

Product 1

HCID 67414470HCID 67414470, compound

Sources & evidence

ORD record: ord-c12e9f5d85b64f1b8e4f90e98114e5ab
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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