Hydrochloric Acid → Ethyl 6-chloro-7-(4-(4,4-dimethylcyclohexylcarbamoyl)phenoxy)chroman-4-carboxylate

HRID 317077Notes

Reaction equation

HRID 317077 reaction equation
[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:35][C:36]1([CH3:43])[CH2:37][CH2:38][CH:39]([NH2:42])[CH2:40][CH2:41]1.[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26].[ClH:34].[ClH:44].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:19])[NH:42][CH:39]3[CH2:38][CH2:37][C:36]([CH3:35])([CH3:43])[CH2:41][CH2:40]3)[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 4210544,4-Dimethylcyclohexan-1-amineHCID 582443954-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid

Product 1

HCID 67080857Ethyl 6-chloro-7-(4-(4,4-dimethylcyclohexylcarbamoyl)phenoxy)chroman-4-carboxylate

Sources & evidence

ORD record
ord-02cb8c88b87d4ef5a05f3762ce780d81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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