HRID2139315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID308483

3-Cyanobenzoyl chloride

C8H4ClNO

HCID3280088

未命名化合物

HCID44554132

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cccnc2)n(C(=O)c2cccc(C#N)c2)c2ccc(C#N)cc12

HCID58215596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f5afed4bafc41d5aa0271e232e0c10a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:29](#[N:30])[c:31]1[cH:32][c:33]([C:34](=[O:35])[Cl:36])[cH:37][cH:38][cH:39]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:11][c:12]1[c:13](-[c:23]2[cH:24][n:25][cH:26][cH:27][cH:28]2)[nH:14][c:15]2[cH:16][cH:17][c:18]([C:21]#[N:22])[cH:19][c:20]12.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[Cl-:40].[K+:1].[NH4+:41]>>[CH3:11][c:12]1[c:13](-[c:23]2[cH:24][n:25][cH:26][cH:27][cH:28]2)[n:14]([C:34]([c:33]2[cH:32][c:31]([C:29]#[N:30])[cH:39][cH:38][cH:37]2)=[O:35])[c:15]2[cH:16][cH:17][c:18]([C:21]#[N:22])[cH:19][c:20]12