HRID2155753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID7969

Benzenethiol

C6H6S

HCID85247

Silane, iodotrimethyl-

C3H9ISi

结构：CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1

HCID67030943

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCSC1(c2ccc(-c3ccccc3)cc2)CNC(C(=O)OC)C1

HCID67030398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f57401a738b4494e8d7caa3a223b8780
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

[CH3:52][C:53]#[N:54].[Cl-:49].[ClH:51].[I:37][Si:38]([CH3:39])([CH3:40])[CH3:41].[NH4+:50].[SH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:1]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:2][cH:3][c:4]([C:7]2([S:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH2:8][CH:9]([C:22](=[O:23])[O:24][CH3:25])[N:10]([C:12]([O:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)=[O:21])[CH2:11]2)[cH:5][cH:6]1>>[ClH:49].[c:1]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:2][cH:3][c:4]([C:7]2([S:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH2:8][CH:9]([C:22](=[O:23])[O:24][CH3:25])[NH:10][CH2:11]2)[cH:5][cH:6]1