Hydrochloric Acid → 3-Cyclopentyl-2-(4-methylsulfanyl-phenyl)-acrylic acid ethyl ester

HRID 666570Notes

Reaction equation

HRID 666570 reaction equation
[CH2:37]([CH3:38])[O:39][C:40]([C:41](=[O:42])[c:43]1[cH:44][cH:45][c:46]([S:49][CH3:50])[cH:47][cH:48]1)=[O:51].[CH3:27][Si:28]([N-:29][Si:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])[CH3:35].[CH:2]1([CH2:7][P+:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:52].[I-:1].[Li+:36].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58]>>[CH:2]1([CH:7]=[C:41]([C:40]([O:39][CH2:37][CH3:38])=[O:51])[c:43]2[cH:44][cH:45][c:46]([S:49][CH3:50])[cH:47][cH:48]2)[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 30165Iodide IonHCID 2758911Ethyl 4-thiomethylbenzoylformateHCID 3280088Npc316347HCID 22315320Cyclopentylmethyl(triphenyl)phosphanium

Product 1

HCID 670844683-Cyclopentyl-2-(4-methylsulfanyl-phenyl)-acrylic acid ethyl ester

Sources & evidence

ORD record
ord-2cb10495af134f84ad0199ffe47ac408
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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