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Dimethyl Sulfoxide → tert-Butyl [6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(trifluoroacetyl)pyridin-2-yl]carbamate

HRID 2128023
Notes
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Reaction equation

HRID 2128023 reaction equation
[C:26](=[O:27])([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[NH:33][CH2:34][CH2:35][NH2:36].[CH3:22][S:23]([CH3:24])=[O:25].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1.[OH2:52]>>[c:2]1([NH:36][CH2:35][CH2:34][NH:33][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:3][cH:4][c:5]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 187201N-BOC-ethylenediamineHCID 57911758tert-Butyl[6-chloro-3-(trifluoroacetyl)pyridin-2-yl]carbamate

Product 1

HCID 57911745
tert-Butyl [6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(trifluoroacetyl)pyridin-2-yl]carbamate

Sources & evidence

ORD record
ord-6319dc2e6cd34908b3119152c156c6cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes