Acetic Acid → HCID 58254915, compound

HRID 298324

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 6344Dichloromethane

HCID 2761034Pyrimidine-5-carboxaldehyde

HCID 446126165-chloro-N2-(2-fluoro-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Product 1

HCID 58254915HCID 58254915, compound

Sources & evidence

ORD record: ord-7d0d5f31d3424853b292f6b0372bd2ff
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

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