Dimethyl Sulfide → 1-[2-(4-aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(pyridin-4-yloxy)phenyl]urea

HRID 1151177Notes

Reaction equation

HRID 1151177 reaction equation
[BH3:46].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[CH2:36][C:37]([CH3:38])([CH3:39])[C:40]([OH:41])=[O:42])[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.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:43][S:44][CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([NH2:33])[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 1068Dimethyl SulfideHCID 6331BoraneHCID 8028TetrahydrofuranHCID 11519796N-[4-(3-tert-butyl-5-{3-[4-(pyridin-4-yloxy)-phenyl]-ureido}-pyrazol-1-yl)-phenyl]-2,2-dimethyl-succinamic acid

Product 1

HCID 536301891-[2-(4-aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(pyridin-4-yloxy)phenyl]urea

Sources & evidence

ORD record
ord-b7c3fecbc47f49eab34cf3dc3e6f0c8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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