HRID823843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID15908

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

C8H17N3

结构：COc1ccc(CN2C(=O)OC(CN)(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID44549803

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)OC(CNC(=O)c3ccc(F)cc3)(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID44549804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8adf3ba851464f399627a97a8141e7f0
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

[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[ClH:56].[NH2:1][CH2:2][C:3]1([C:24]([F:25])([F:26])[F:27])[O:4][C:5](=[O:23])[N:6]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[c:7]2[c:8]1[cH:9][c:10]([Br:13])[cH:11][cH:12]2.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:38].[OH2:68].[OH:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([F:35])[cH:36][cH:37]1.[OH:39][c:40]1[c:41]2[n:42][n:43][nH:44][c:45]2[cH:46][cH:47][cH:48]1>>[NH:1]([CH2:2][C:3]1([C:24]([F:25])([F:26])[F:27])[O:4][C:5](=[O:23])[N:6]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[c:7]2[c:8]1[cH:9][c:10]([Br:13])[cH:11][cH:12]2)[C:29](=[O:28])[c:31]1[cH:32][cH:33][c:34]([F:35])[cH:36][cH:37]1