Chloride → 5-phenyl-1H-indole-7-carboxylic acid

HRID 1572645Notes

Reaction equation

HRID 1572645 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:30][c:31]1[cH:32][c:33]([CH3:34])[cH:35][c:36]([CH3:37])[c:38]1-[n+:39]1[cH:40][cH:41][n:42](-[c:43]2[c:44]([CH3:45])[cH:46][c:47]([CH3:48])[cH:49][c:50]2[CH3:51])[cH:52]1.[Cl-:29].[Cs+:27].[Cs+:28].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[OH:14][B:15]([OH:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[c:2]1(-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 104967Cesium cation2×HCID 2734212CID 2734212HCID 533992575-Bromo-1H-indole-7-carboxylic acid

Product 1

HCID 545824745-phenyl-1H-indole-7-carboxylic acid

Sources & evidence

ORD record
ord-26727b8c4e8f4790aa6a4992eeb8259d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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