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

HRID 171372

Reaction equation

HRID 171372 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][C:49](=[O:50])[OH:51].[CH3:9][Si:10]([N-:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Cl:18][c:19]1[n:20][c:21](-[n:31]2[c:32]([CH:40]([F:41])[F:42])[n:33][c:34]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:22][c:23]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:24]1.[NH2:1][c:2]1[n:3][n:4][cH:5][cH:6][cH:7]1.[Na+:8].[OH2:52]>>[NH:1]([c:2]1[n:3][n:4][cH:5][cH:6][cH:7]1)[c:19]1[n:20][c:21](-[n:31]2[c:32]([CH:40]([F:41])[F:42])[n:33][c:34]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:22][c:23]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:24]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 230373AminopyridazineHCID 3280088Npc316347HCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Product 1

HCID 498693554-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-(3-pyridazinyl)-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-b2e5764089294b4d967da3a24bf9dfc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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