Hydrochloric Acid → Hydrochloric Acid

HRID 1562451Notes

Reaction equation

HRID 1562451 reaction equation
[CH2:57]([Cl:58])[Cl:59].[CH3:1][C:2]1([CH3:28])[O:3][c:4]2[c:5]([c:11]([OH:27])[cH:12][c:13]([CH:15]([CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[CH3:26])[cH:14]2)[C:6]2=[C:7]1[CH2:8][CH2:9][CH2:10]2.[CH:29]1([N:30]=[C:31]=[N:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[ClH:44].[ClH:56].[N:45]1([CH2:51][CH2:52][C:53](=[O:54])[OH:55])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH3:1][C:2]1([CH3:28])[O:3][c:4]2[c:5]([c:11]([O:27][C:53]([CH2:52][CH2:51][N:45]3[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]3)=[O:54])[cH:12][c:13]([CH:15]([CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[CH3:26])[cH:14]2)[C:6]2=[C:7]1[CH2:8][CH2:9][CH2:10]2.[ClH:44]

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 1177821-Piperidinepropanoic acidHCID 214097494,4-Dimethyl-9-hydroxy-7-(4-p-fluorophenyl-1-methylbutyl)-1,2,3,4-tetrahydrocyclopenta [c] [1]benzopyran

Product 2

HCID 313Hydrochloric AcidHCID 54477406[7-[5-(4-fluorophenyl)pentan-2-yl]-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 3-piperidin-1-ylpropanoate

Sources & evidence

ORD record
ord-cb223521e8e34a7a997e59f14140e605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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