Isopropanol → methyl N-[2-[[4-(3-iodo-1-isopropyl-pyrazol-4-yl)pyrimidin-2-yl]amino]-1-methyl-ethyl]carbamate

HRID 200164Notes

Reaction equation

HRID 200164 reaction equation
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH:33]([OH:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([I:16])[n:10][n:11]([CH:13]([CH3:14])[CH3:15])[cH:12]2)[n:7]1.[NH2:17][CH2:18][CH:19]([CH3:20])[NH:21][C:22]([O:23][CH3:24])=[O:25].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[c:2]1([NH:17][CH2:18][CH:19]([CH3:20])[NH:21][C:22]([O:23][CH3:24])=[O:25])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([I:16])[n:10][n:11]([CH:13]([CH3:14])[CH3:15])[cH:12]2)[n:7]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 8471TriethylamineHCID 312751,4-DioxaneHCID 510343412-Chloro-4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)pyrimidineHCID 63731127(S)-Methyl (1-aminopropan-2-yl)carbamate

Product 1

HCID 70313744methyl N-[2-[[4-(3-iodo-1-isopropyl-pyrazol-4-yl)pyrimidin-2-yl]amino]-1-methyl-ethyl]carbamate

Sources & evidence

ORD record
ord-c0e8d16aaf6943dc984158f0cf0d4452
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…