HRID802697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID57900163

未命名化合物

HCID137319820

未命名化合物

PRODUCTS

生成物

结构：CSC(=NC(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)NC(=O)OC(C)(C)C

HCID178503937

tert-butyl (NE)-N-[[(8-bromo-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carbonyl)amino]-methylsulfanylmethylidene]carbamate

C20H21BrN2O4S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32a630f845eb4ff681a0395557ee9704
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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