Hydrochloric Acid → Hydrochloric Acid

HRID 1570092Notes

Reaction equation

HRID 1570092 reaction equation
[CH2:56]([Cl:57])[Cl:58].[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:41]1([N:42]=[C:43]=[N:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[ClH:29].[N:30]1([CH2:35][CH2:36][CH2:37][C:38](=[O:39])[OH:40])[CH2:31][CH2:32][CH2:33][CH2:34]1>>[CH3:1][C:2]1([CH3:28])[O:3][c:4]2[c:5]([c:11]([O:27][C:38]([CH2:37][CH2:36][CH2:35][N:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)=[O:39])[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:29]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 148556811-Pyrrolidinebutanoic 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 54158941[7-[5-(4-fluorophenyl)pentan-2-yl]-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 4-pyrrolidin-1-ylbutanoate

Sources & evidence

ORD record
ord-6d9a7cec46a54714a3f450fc6827b78a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…