Bicarbonate Ion → N-[[3-(2,3-difluorophenyl)-4-(hydroxymethyl)-5-(trifluoromethyl)oxolan-3-yl]carbamothioyl]benzamide

HRID 2313665Notes

Reaction equation

HRID 2313665 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]=[C:10]=[S:11].[C:32](=[O:33])([OH:34])[O-:35].[Cl:37][CH2:38][Cl:39].[NH2:12][C:13]1([c:24]2[c:25]([F:31])[c:26]([F:30])[cH:27][cH:28][cH:29]2)[CH:14]([CH2:22][OH:23])[CH:15]([C:18]([F:19])([F:20])[F:21])[O:16][CH2:17]1.[Na+:36]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][C:10](=[S:11])[NH:12][C:13]1([c:24]2[c:25]([F:31])[c:26]([F:30])[cH:27][cH:28][cH:29]2)[CH:14]([CH2:22][OH:23])[CH:15]([C:18]([F:19])([F:20])[F:21])[O:16][CH2:17]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 68284Benzoyl isothiocyanateHCID 77977375[4-Amino-4-(2,3-difluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol

Product 1

HCID 123321523N-[[3-(2,3-difluorophenyl)-4-(hydroxymethyl)-5-(trifluoromethyl)oxolan-3-yl]carbamothioyl]benzamide

Sources & evidence

ORD record
ord-0958ac0a08fb418090809688f13a238d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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