HRID286979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID76639

Benzyl isocyanate

C8H7NO

结构：NC(Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

HCID66705334

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)NC(Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

HCID66694975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa51183b59b5425d8ab3d2e9492e18d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BrH:1].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]=[C:39]=[O:40].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:41][CH2:42][Cl:43].[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH:12]([NH2:13])[c:14]2[n:15][c:16](-[c:19]3[s:20][cH:21][cH:22][cH:23]3)[s:17][cH:18]2)[cH:9][cH:10]1>>[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH:12]([NH:13][C:39]([NH:38][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:40])[c:14]2[n:15][c:16](-[c:19]3[s:20][cH:21][cH:22][cH:23]3)[s:17][cH:18]2)[cH:9][cH:10]1