HRID187066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID74956

Tetrahydro-4H-pyran-4-ol

C5H10O2

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

HCID9901028

2-[(4-Chlorobenzene-1-sulfonyl)methyl]-1,4-difluorobenzene

C13H9ClF2O2S

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)C1CCOCC1

HCID23114871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-223aa41b0bbf4d2d865c2c0e494a8fa2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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