HRID1132390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID19909

2-Amino-1,3,4-thiadiazole

C2H3N3S

结构：CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

HCID333429

STK367969

C16H20N2O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nncs1

HCID178453333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0944c69106f435d8da382bf3827d8cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12)[C:20](=[O:21])[OH:22].[C:30]([Cl:31])(=[O:32])[O:33][CH2:34][CH3:35].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH:42]([Cl:43])([Cl:44])[Cl:45].[NH2:36][c:37]1[s:38][cH:39][n:40][n:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12)[C:20](=[O:22])[NH:36][c:37]1[s:38][cH:39][n:40][n:41]1