Benzenepropanoic acid → HCID 66914310, compound

HRID 1568557Notes

Reaction equation

HRID 1568557 reaction equation
[BH:29]([OH:30])[OH:31].[C:32](=[O:33])([OH:34])[CH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:25]([F:26])([F:27])[F:28])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([Br:24])[cH:21][cH:22][cH:23]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[ClH:49].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:25]([F:26])([F:27])[F:28])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20](-[c:40]2[cH:39][cH:38][c:37]([CH2:36][CH2:35][C:32](=[O:33])[OH:34])[cH:42][cH:41]2)[cH:21][cH:22][cH:23]1

Participants

9

Reactant 8

HCID 107Benzenepropanoic acidHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 669135743-Benzyl-4-(3-bromophenyl)-8-(trifluoromethyl)quinoline

Product 1

HCID 66914310HCID 66914310, compound

Sources & evidence

ORD record
ord-94bbd14e8b394529b1db38cd449e110e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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