HRID674714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID166653

Hydride

H-

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

HCID68489464

未命名化合物

PRODUCTS

生成物

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

HCID68487482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b514b0b6720421ea85107ea45085a72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH:74]([Cl:75])([Cl:76])[Cl:77].[ClH:39].[H-:51].[NH2:1][CH2:2][C:3]1([C:25]([F:26])([F:27])[F:28])[N:4]([CH3:24])[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[cH:8][cH:9][c:10]([Br:13])[cH:11][c:12]21.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]1.[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[NH:1]([CH2:2][C:3]1([C:25]([F:26])([F:27])[F:28])[N:4]([CH3:24])[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[cH:8][cH:9][c:10]([Br:13])[cH:11][c:12]21)[C:30](=[O:29])[c:32]1[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]1