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1,2-Dichloroethane → N-(7-cyanomethyl-chroman-4-yl)-3-phenyl-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

HRID 687435
Notes
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Reaction equation

HRID 687435 reaction equation
[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:77][CH2:78][Cl:79].[NH2:1][CH:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][c:8]([CH2:12][C:13]#[N:14])[cH:9][cH:10][c:11]21.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[c:15]1([CH:21]([CH2:22][C:23](=[O:24])[OH:25])[NH:26][S:27](=[O:28])(=[O:29])[c:30]2[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][c:8]([CH2:12][C:13]#[N:14])[cH:9][cH:10][c:11]21)[C:23]([CH2:22][CH:21]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[NH:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]1)=[O:24]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 454390913-Phenyl-3-(3-trifluoromethyl-benzenesulfonylamino)-propionic acid
HCID 68929026
(4-Amino-chroman-7-yl)-acetonitrile

Product 1

HCID 68932619N-(7-cyanomethyl-chroman-4-yl)-3-phenyl-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

Sources & evidence

ORD record
ord-2e849fce4b174dc495f2cc9a373579fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes