Borane → N-[3-tert-butyl-1-[4-(2-hydroxyethyl)phenyl]-1H-pyrazol-5-yl]-N'-[4-(pyridin-4-yloxy)-phenyl]urea

HRID 2139977Notes

Reaction equation

HRID 2139977 reaction equation
[BH3:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[OH:36])[cH:31][cH:32]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:9]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[S:37]([OH:38])([O:39][CH3:40])=[O:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][CH2:34][OH:35])[cH:31][cH:32]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:9]1

Participants

5

Reactant 4

HCID 6331BoraneHCID 8028TetrahydrofuranHCID 358915Methyl hydrogen sulfiteHCID 11496770(4-{3-tert-butyl-5-[({[4-(pyridin-4-yloxy)phenyl]amino}carbonyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid

Product 1

HCID 11518461N-[3-tert-butyl-1-[4-(2-hydroxyethyl)phenyl]-1H-pyrazol-5-yl]-N'-[4-(pyridin-4-yloxy)-phenyl]urea

Sources & evidence

ORD record
ord-a3dcba8b60c5492a9e2df04a41b58272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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