HRID107724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID12890165

1,1'-(3-Chloroprop-1-ene-1,1-diyl)dibenzene

C15H13Cl

HCID13787739

Methyl 2-mercapto-5-trifluoromethylbenzoate

C9H7F3O2S

HCID53630274

3-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-ene

C20H36N2

PRODUCTS

产物

HCID20205035

Methyl 2-(3,3-diphenylprop-2-enylthio)-5-trifluoromethylbenzoate

C24H19F3O2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3a3e6b0712e4438ebb1b9a879ce328f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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