HRID1121956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID2723799

未命名化合物

HCID2759214

4'-Formyl-biphenyl-4-carbonitrile

C14H9NO

PRODUCTS

生成物

HCID53784545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be9bb0c8d04d4845a0fbadc981dd1115
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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