Acetic Acid → 4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-(5-pyrimidinyl)-1,3,5-triazin-2-amine

HRID 1545484

Reaction equation

HRID 1545484 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:45][C:46](=[O:47])[OH:48].[Cl:13][c:14]1[n:15][c:16](-[n:26]2[c:27]([CH:37]([F:38])[F:39])[n:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][c:34]3[O:35][CH3:36])[n:17][c:18]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[n:19]1.[NH2:1][c:2]1[cH:3][n:4][cH:5][n:6][cH:7]1.[OH2:49]>>[NH:1]([c:2]1[cH:3][n:4][cH:5][n:6][cH:7]1)[c:14]1[n:15][c:16](-[n:26]2[c:27]([CH:37]([F:38])[F:39])[n:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][c:34]3[O:35][CH3:36])[n:17][c:18]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[n:19]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 344373Pyrimidin-5-amineHCID 534881021-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-4-methoxy-1H-benzimidazoleHCID 178418339Butyllithium

Product 1

HCID 498699184-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-(5-pyrimidinyl)-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-c6a128fcffed4e90b662bcb9efbc25b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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