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Hydrochloric Acid → Ethyl 2-(4-cyclopropylsulfanylphenyl)-3-(tetrahydropyran-4-yl)acrylate

HRID 2155895
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HRID 2155895 반응식
[CH2:38]([CH3:39])[O:40][C:41]([C:42](=[O:43])[c:44]1[cH:45][cH:46][c:47]([S:50][CH:51]2[CH2:52][CH2:53]2)[cH:48][cH:49]1)=[O:54].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[ClH:55].[I-:11].[Li+:1].[OH2:61].[c:12]1([P+:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:26]2)([CH2:19][CH:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH:19]([CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)=[C:42]([C:41]([O:40][CH2:38][CH3:39])=[O:54])[c:44]1[cH:45][cH:46][c:47]([S:50][CH:51]2[CH2:52][CH2:53]2)[cH:48][cH:49]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 30165Iodide IonHCID 3280088Npc316347HCID 21094224HCID 21094224, 화합물
HCID 46856411
Ethyl 4-(cyclopropylthio)-alpha-oxobenzeneacetate

생성물 1

HCID 67484543Ethyl 2-(4-cyclopropylsulfanylphenyl)-3-(tetrahydropyran-4-yl)acrylate

출처 및 근거

ORD 기록
ord-b5a11c6f436b4d048fab04bc367eeeba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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