HRID163437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID81531

Diisopropylethylamine

C8H19N

HCID57423315

2-(2-tert-Butylphenoxy)-3-isocyanatopyridine

C16H16N2O2

PRODUCTS

生成物

结构：CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)OCc1ccccc1

HCID67026951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01fe78490dd344be9fad35601913d1b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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