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Acetonitrile → 2-((Pyridin-2-ylmethyl)(8-(3-(4-sulfamoylphenyl)thioureido)octyl)amino)acetic acid

HRID 2160652
Notes
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Reaction equation

HRID 2160652 reaction equation
[CH3:35][C:36]#[N:37].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[N:22](=[C:23]=[S:24])[c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:29][cH:30]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH2:11][C:12](=[O:13])[OH:14])[CH2:15][c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH2:11][C:12](=[O:13])[OH:14])[CH2:15][c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1)[C:23]([NH:22][c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:29][cH:30]1)=[S:24]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 5213594-IsothiocyanatobenzenesulfonamideHCID 674220652-((8-Aminooctyl)(pyridin-2-ylmethyl)amino)acetic acid

Product 1

HCID 462342612-((Pyridin-2-ylmethyl)(8-(3-(4-sulfamoylphenyl)thioureido)octyl)amino)acetic acid

Sources & evidence

ORD record
ord-4f3d5c29db844e2e956ab897b75f9e04
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