1-Butanol → HCID 178458642, compound

HRID 1556371Notes

Reaction equation

HRID 1556371 reaction equation
[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH:15]([CH3:16])[CH3:17])[cH:13]2)[n:7]1.[ClH:21].[NH2:22][CH:23]([CH2:24][OH:25])[c:26]1[n:27][cH:28][c:29]([F:32])[cH:30][cH:31]1>>[c:2]1([NH:22][CH:23]([CH2:24][OH:25])[c:26]2[n:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH:15]([CH3:16])[CH3:17])[cH:13]2)[n:7]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 552940272-Amino-2-(5-fluoropyridin-2-yl)ethan-1-olHCID 178458609HCID 178458609, compound

Product 1

HCID 178458642HCID 178458642, compound

Sources & evidence

ORD record
ord-9bfe316f98c14a568917b22efbc82251
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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