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Benzoic Acid → 4-[4-(1-fluoro-1-methyl-2-{[(methylethyl)sulfonyl]amino}ethyl)phenyl]benzoic Acid

HRID 116701
Notes
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Reaction equation

HRID 116701 reaction equation
[BH:19]([OH:20])[OH:21].[C:22](=[O:23])([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[C:31](=[O:32])([O-:33])[O-:34].[ClH:37].[F:1][C:2]([CH2:3][NH:4][S:5](=[O:6])(=[O:7])[CH:8]([CH3:9])[CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([I:18])[cH:16][cH:17]1.[K+:35].[K+:36].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:38]>>[F:1][C:2]([CH2:3][NH:4][S:5](=[O:6])(=[O:7])[CH:8]([CH3:9])[CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15](-[c:28]2[cH:27][cH:26][c:25]([C:22](=[O:23])[OH:24])[cH:30][cH:29]2)[cH:16][cH:17]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 243Benzoic AcidHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 61668Boronic Acid
HCID 9800265
[2-Fluoro-2-(4-iodophenyl)propyl][(methylethyl)sulfonyl]amine

Product 1

HCID 221765834-[4-(1-fluoro-1-methyl-2-{[(methylethyl)sulfonyl]amino}ethyl)phenyl]benzoic Acid

Sources & evidence

ORD record
ord-939fc314f9464d3fafc5467d31d73f1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes