1-Butanol → [4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperidin-4-ylmethyl]-methylamine

HRID 98296

Reaction equation

HRID 98296 reaction equation
[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:20]2([CH2:26][NH:27][CH3:28])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[cH:18][cH:19]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][cH:9][cH:10]2.[ClH:11].[ClH:12]>>[c:2]1([N:23]2[CH2:22][CH2:21][C:20]([c:17]3[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]3)([CH2:26][NH:27][CH3:28])[CH2:25][CH2:24]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][cH:9][cH:10]2

Participants

6

Reactant 5

HCID 2631-ButanolHCID 313Hydrochloric Acid2×HCID 8471TriethylamineHCID 53566827H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-HCID 578991301-[4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine

Product 1

HCID 57899172[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperidin-4-ylmethyl]-methylamine

Sources & evidence

ORD record
ord-1dda5a8096dd4f76ae44c52aa6f5384a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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