Phenylacetyl chloride → HCID 10413857, compound

HRID 143095Notes

Reaction equation

HRID 143095 reaction equation
[C:38]([N:39]=[P:40]1([N:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]1[CH3:52])([CH3:53])([CH3:54])[CH3:55].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([O:15][c:16]3[cH:17][cH:18][cH:19][c:20]4[c:21]3[n:22][c:23]([NH2:25])[s:24]4)[n:12][cH:13][n:14]2)[cH:7][cH:8]1)([F:26])[F:27].[c:28]1([CH2:34][C:35](=[O:36])[Cl:37])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([O:15][c:16]3[cH:17][cH:18][cH:19][c:20]4[c:21]3[n:22][c:23]([NH:25][C:35]([CH2:34][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)=[O:36])[s:24]4)[n:12][cH:13][n:14]2)[cH:7][cH:8]1)([F:26])[F:27]

Participants

5

Reactant 4

HCID 7679Phenylacetyl chlorideHCID 8028TetrahydrofuranHCID 35138512-((1,1-Dimethylethyl)imino)-N,N-diethylhexahydro-1,3-dimethyl-2lambda5-1,3,2-diazaphosphorin-2-amineHCID 100916504-[6-(4-Trifluoromethyl-phenyl)-pyrimidin-4-yloxy]-benzothiazol-2-ylamine

Product 1

HCID 10413857HCID 10413857, compound

Sources & evidence

ORD record
ord-55f073eaacd34111b541f9a7c68925c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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