Dimethylformamide → N-(7-Oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-phenyl-butyramide

HRID 1539042Notes

Reaction equation

HRID 1539042 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[CH2:7][CH2:8][CH2:9][C:10]2=[O:11].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[c:12]1([CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH3:23])[cH:13][cH:14][cH:15][cH:16][cH:17]1.[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[CH2:7][CH2:8][CH2:9][C:10]2=[O:11])[C:19]([CH:18]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:22][CH3:23])=[O:20]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 70122-Phenylbutyric AcidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 5878502-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-oneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 49718789N-(7-Oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-phenyl-butyramide

Sources & evidence

ORD record
ord-35e1f861183943839cf62a98bfb645e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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