1-Butanol → 1-[2-(3-Chloro-4-methoxy-phenylamino)-6-cycloheptylamino-pyrimidin-4-yl]-piperidin-4-ol

HRID 681911Notes

Reaction equation

HRID 681911 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:1][c:2]1[cH:3][c:4]([NH:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[n:5][c:6]([NH:8][c:9]2[cH:10][c:11]([Cl:17])[c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1.[OH:26][CH:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1>>[c:2]1([N:30]2[CH2:29][CH2:28][CH:27]([OH:26])[CH2:32][CH2:31]2)[cH:3][c:4]([NH:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[n:5][c:6]([NH:8][c:9]2[cH:10][c:11]([Cl:17])[c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 8471TriethylamineHCID 79341Piperidin-4-olHCID 586260766-chloro-N2-(3-chloro-4-methoxy-phenyl)-N4-cycloheptyl-pyrimidine-2,4-diamine

Product 1

HCID 115179471-[2-(3-Chloro-4-methoxy-phenylamino)-6-cycloheptylamino-pyrimidin-4-yl]-piperidin-4-ol

Sources & evidence

ORD record
ord-c4d854d5e8554a258c50564655549ba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…