Propanolamine ethyl ether → [5-({[3-(Ethyloxy)propyl]amino}methyl)-2-thienyl]boronic acid

HRID 297205

Reaction equation

HRID 297205 reaction equation
[CH2:1]([CH:2]([CH2:3][CH3:4])[CH2:5][NH:6][CH2:7][c:8]1[s:9][c:10](-[c:11]2[cH:12][c:13]3[c:14]([c:15]([C:16]([NH2:17])=[O:18])[cH:19]2)[nH:20][cH:21][c:22]3[CH:23]2[CH2:24][CH2:25][N:26]([S:27]([CH2:28][CH3:29])(=[O:30])=[O:31])[CH2:32][CH2:33]2)[cH:34][cH:35]1)[CH3:36].[CH2:47]([CH3:48])[O:49][CH2:50][CH2:51][CH2:52][NH2:53].[CH:37](=[O:38])[c:39]1[cH:40][cH:41][c:42]([B:44]([OH:45])[OH:46])[s:43]1>>[CH2:37]([c:39]1[cH:40][cH:41][c:42]([B:44]([OH:45])[OH:46])[s:43]1)[NH:53][CH2:52][CH2:51][CH2:50][O:49][CH2:47][CH3:48]

Participants

4

Reactant 3

HCID 22720Propanolamine ethyl etherHCID 27734305-Formyl-2-thiopheneboronic acidHCID 577326215-(5-{[(2-ethylbutyl)amino]methyl}-2-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Product 1

HCID 66723526[5-({[3-(Ethyloxy)propyl]amino}methyl)-2-thienyl]boronic acid

Sources & evidence

ORD record
ord-ef72ae8898744938b1cf038add1d9b9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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