Acetic Acid → 6-Methyl-2-((4-((thiazol-2-ylmethylamino)methyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)thieno[2,3-d]pyrimidin-4(3H)-one

HRID 1550465Notes

Reaction equation

HRID 1550465 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:11][n:12]3[n:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([CH:17]=[O:18])[cH:16]3)[nH:8][c:9]2=[O:10])[s:23]1.[CH3:31][C:32](=[O:33])[OH:34].[Cl:49][CH2:50][Cl:51].[Na+:48].[s:24]1[c:25]([CH2:29][NH2:30])[n:26][cH:27][cH:28]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:11][n:12]3[n:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([CH2:17][NH:30][CH2:29][c:25]4[s:24][cH:28][cH:27][n:26]4)[cH:16]3)[nH:8][c:9]2=[O:10])[s:23]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 27565071,3-Thiazol-2-ylmethanamineHCID 866303971-((6-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

Product 1

HCID 425969796-Methyl-2-((4-((thiazol-2-ylmethylamino)methyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)thieno[2,3-d]pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-1be73cf4e68942ab8feb0f2320502eca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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