1-Butanol → HCID 178458637, compound

HRID 1571502Notes

Reaction equation

HRID 1571502 reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[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.[NH2:21][CH:22]([CH2:23][OH:24])[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1>>[c:2]1([NH:21][CH:22]([CH2:23][OH:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]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

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 148532012-Amino-2-(4-fluorophenyl)ethanolHCID 178458609HCID 178458609, compound

Product 1

HCID 178458637HCID 178458637, compound

Sources & evidence

ORD record
ord-d70bad7f641842f2afbe1fca6503aa68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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