HRID207960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19838781

1-(Aminooxy)propan-2-ol

C3H9NO2

HCID59140120

未命名化合物

PRODUCTS

生成物

结构：CC(O)CONC(=O)c1ncc2cncn2c1Nc1ccc(Br)cc1F

HCID74931201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77d7c565f3bf4907a1365c3def383b1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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