1-Butanol → HCID 178508109, compound

HRID 114884Notes

Reaction equation

HRID 114884 reaction equation
[CH3:41][CH2:42][CH2:43][CH2:44][OH:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:31][c:32]1[c:33]2[n:34][cH:35][nH:36][c:37]2[n:38][cH:39][n:40]1.[NH2:10][C:11]1([C:17](=[O:18])[NH:19][CH:20]([CH2:21][CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1>>[NH2:10][C:11]1([C:17](=[O:18])[NH:19][CH:20]([CH2:21][CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[CH2:12][CH2:13][N:14]([c:32]2[c:33]3[n:34][cH:35][nH:36][c:37]3[n:38][cH:39][n:40]2)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 666747004-amino-N-[1-(4-chlorophenyl)-3-hydroxypropyl]piperidine-4-carboxamideHCID 178478393HCID 178478393, compound

Product 1

HCID 178508109HCID 178508109, compound

Sources & evidence

ORD record
ord-19ceb5bece5c460591ca1948772400d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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