Methanol → N-[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]-N'-1H-indazol-4-ylurea

HRID 198669

Reaction equation

HRID 198669 reaction equation
[CH3:39][OH:40].[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([CH2:6][CH2:7]1)[N:8]2[c:9]1[c:10]([C:33]([F:34])([F:35])[F:36])[cH:11][c:12]([CH2:13][NH:14][C:15](=[O:16])[NH:17][c:18]2[c:19]3[cH:20][n:21][n:22]([C:27]([O:28][CH3:29])=[O:30])[c:23]3[cH:24][cH:25][cH:26]2)[cH:31][cH:32]1.[Na+:38].[OH-:37]>>[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([CH2:6][CH2:7]1)[N:8]2[c:9]1[c:10]([C:33]([F:34])([F:35])[F:36])[cH:11][c:12]([CH2:13][NH:14][C:15](=[O:16])[NH:17][c:18]2[c:19]3[cH:20][n:21][nH:22][c:23]3[cH:24][cH:25][cH:26]2)[cH:31][cH:32]1

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 22337659methyl 4-[({[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]amino}carbonyl)amino]-1H-indazole-1-carboxylate

Product 1

HCID 22337696N-[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]-N'-1H-indazol-4-ylurea

Sources & evidence

ORD record
ord-cd562989a2844e149f384c516511220f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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