Toluene → 3-[4-(1-Amino-cyclobutyl)-phenyl]-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid

HRID 94750Notes

Reaction equation

HRID 94750 reaction equation
[C:8]([O:9][C:10](=[O:11])[NH:15][C:16]1([c:20]2[cH:21][cH:22][c:23](-[c:26]3[c:27](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[o:28][c:29]4[c:30]([C:37](=[O:38])[OH:39])[cH:31][cH:32][cH:33][c:34]4[c:35]3=[O:36])[cH:24][cH:25]2)[CH2:17][CH2:18][CH2:19]1)([CH3:12])([CH3:13])[CH3:14].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:46][CH2:47][Cl:48].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[NH2:15][C:16]1([c:20]2[cH:21][cH:22][c:23](-[c:26]3[c:27](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[o:28][c:29]4[c:30]([C:37](=[O:38])[OH:39])[cH:31][cH:32][cH:33][c:34]4[c:35]3=[O:36])[cH:24][cH:25]2)[CH2:17][CH2:18][CH2:19]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 670678653-[4-(1-tert-Butoxycarbonylamino-cyclobutyl)-phenyl]-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid

Product 1

HCID 670679903-[4-(1-Amino-cyclobutyl)-phenyl]-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid

Sources & evidence

ORD record
ord-73b44213bca841ae81082cd58a899618
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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