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Chloride → 4-(1-Acetyl-1,2,3,4-tetrahydroquinolin-6-yl)-3-methylbenzoic acid

HRID 1575294
Notes
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Reaction equation

HRID 1575294 reaction equation
[B:1]([OH:2])([OH:3])[c:4]1[c:5]([CH3:13])[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[C:14]([CH3:15])(=[O:16])[N:17]1[CH2:18][CH2:19][CH2:20][c:21]2[cH:22][c:23]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])[cH:24][cH:25][c:26]21.[CH2:44]([CH2:45][O:46][CH3:47])[O:48][CH3:49].[Cl-:36].[Li+:35].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:43]>>[c:4]1(-[c:23]2[cH:22][c:21]3[c:26]([cH:25][cH:24]2)[N:17]([C:14]([CH3:15])=[O:16])[CH2:18][CH2:19][CH2:20]3)[c:5]([CH3:13])[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium Ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 28486Lithium CationHCID 186942601-Acetyl-1,2,3,4-tetrahydro-6-trifluoromethanesulphonyloxyquinoline
HCID 22115892
4-Borono-3-methylbenzoic acid

Product 1

HCID 186942454-(1-Acetyl-1,2,3,4-tetrahydroquinolin-6-yl)-3-methylbenzoic acid

Sources & evidence

ORD record
ord-68fcf1725a1f4c5c9e0f651e9a4cf062
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes