Hydrochloric Acid → Hydrochloric Acid

HRID 124710Notes

Reaction equation

HRID 124710 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].[O:45]1[CH2:46][CH2:47][N:48]([CH2:51][CH2:52][CH2:53][C:54](=[O:55])[OH:56])[CH2:49][CH2:50]1>>[CH3:1][C:2]1([CH3:28])[O:3][c:4]2[c:5]([c:11]([O:27][C:54]([CH2:53][CH2:52][CH2:51][N:48]3[CH2:47][CH2:46][O:45][CH2:50][CH2:49]3)=[O:55])[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 AcidHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 798724-Morpholinebutanoic 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 21409759[7-[5-(4-fluorophenyl)pentan-2-yl]-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 4-morpholin-4-ylbutanoate

Sources & evidence

ORD record
ord-b1471ccb55014e97add980c663fb1c80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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