HRID203975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID23994

Zinc

HCID18434363

未命名化合物

HCID54237138

Methyl 3-cyclohexyl-2-iodoprop-2-enoate

C10H15IO2

PRODUCTS

生成物

结构：COC(=O)C(=CC1CCCCC1)c1ccc(-n2nnnc2C(F)(F)F)c(Cl)c1

HCID69691734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c22045a8e4e640fabc7a883033aabda3
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

[Br:1][CH2:2][CH2:3][Br:4].[CH3:10][O:11][C:12]([C:13](=[CH:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[I:21])=[O:22].[CH3:5][Si:6]([Cl:7])([CH3:8])[CH3:9].[Cl-:59].[Cl:42][c:43]1[c:44](-[n:50]2[n:51][n:52][n:53][c:54]2[C:55]([F:56])([F:57])[F:58])[cH:45][cH:46][c:47]([I:49])[cH:48]1.[NH4+:60].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[Zn:66].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:10][O:11][C:12]([C:13](=[CH:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[c:47]1[cH:46][cH:45][c:44](-[n:50]2[n:51][n:52][n:53][c:54]2[C:55]([F:56])([F:57])[F:58])[c:43]([Cl:42])[cH:48]1)=[O:22]