Hydrochloric Acid → 2-[2-[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-ylamino]-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yl]-propan-2-ol

HRID 2333826Notes

Reaction equation

HRID 2333826 reaction equation
[CH3:3][c:4]1[n:5][s:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([NH2:15])[CH2:13][CH2:14]2)[n:8]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:16][c:17]1[n:18][c:19](-[c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[cH:20][c:21]([C:23]([CH3:24])([CH3:25])[OH:26])[n:22]1.[ClH:1].[ClH:2].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[CH3:3][c:4]1[n:5][s:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([NH:15][c:17]3[n:18][c:19](-[c:27]4[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]4)[cH:20][c:21]([C:23]([CH3:24])([CH3:25])[OH:26])[n:22]3)[CH2:13][CH2:14]2)[n:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 583978761-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amineHCID 866336402-[2-Chloro-6-(4-trifluoromethyl-phenyl)pyrimidine-4-yl]-propan-2-ol

Product 1

HCID 533534272-[2-[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-ylamino]-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yl]-propan-2-ol

Sources & evidence

ORD record
ord-64f6d61d365a42f78da09a5f89590b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…