Potassium Cation → ethyl 1-[[2-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

HRID 2316780Notes

Reaction equation

HRID 2316780 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[Cl:47][CH2:48][Cl:49].[F:33][C:34]([c:35]1[n:36][nH:37][cH:38][c:39]1[C:40](=[O:41])[O:42][CH2:43][CH3:44])([F:45])[F:46].[K+:31].[K+:32].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([NH:12][C:13]([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22])[CH2:6]2.[S:23]([Cl:24])([Cl:25])=[O:26]>>[CH2:2]([c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([NH:12][C:13]([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22])[CH2:6]2)[n:36]1[c:35]([C:34]([F:33])([F:45])[F:46])[c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:38][n:37]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 77798350benzyl N-[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamateHCID 178469923HCID 178469923, compound

Product 1

HCID 178469995ethyl 1-[[2-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-6275f45b3879403a86e384ba5bb589c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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