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Water → 3-[4-Carbamoyl-2-(2-quinolin-5-yl-ethoxy)-benzenesulfonylamino]-4-oxo-butyric acid

HRID 1125174
Notes
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Reaction equation

HRID 1125174 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([CH:9]=[O:10])[NH:11][S:12](=[O:13])(=[O:14])[c:15]1[c:16]([O:24][CH2:25][CH2:26][c:27]2[c:28]3[cH:29][cH:30][cH:31][n:32][c:33]3[cH:34][cH:35][cH:36]2)[cH:17][c:18]([C:21]([NH2:22])=[O:23])[cH:19][cH:20]1)=[O:37].[Cl:45][CH2:46][Cl:47].[OH2:48].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[O:5]=[C:6]([CH2:7][CH:8]([CH:9]=[O:10])[NH:11][S:12](=[O:13])(=[O:14])[c:15]1[c:16]([O:24][CH2:25][CH2:26][c:27]2[c:28]3[cH:29][cH:30][cH:31][n:32][c:33]3[cH:34][cH:35][cH:36]2)[cH:17][c:18]([C:21]([NH2:22])=[O:23])[cH:19][cH:20]1)[OH:37]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 87952449Tert-butyl 3-[[4-carbamoyl-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoate

Product 1

HCID 225040443-[4-Carbamoyl-2-(2-quinolin-5-yl-ethoxy)-benzenesulfonylamino]-4-oxo-butyric acid

Sources & evidence

ORD record
ord-ff7deac69ab54dc39dc3c09dc573640d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes