HRID692522

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

HCID18434358

未命名化合物

HCID85787589

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1

HCID67486643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e13716d1fe4842cab49997b26c7e2b2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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