HRID2135621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID608544

5-bromopyridine-2-carboxylic acid

C6H4BrNO2

结构：CC(C)(C)OC(=O)NC1=NC(c2cc(N)ccc2F)(C(F)F)COC1

HCID66665663

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1=NC(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)(C(F)F)COC1

HCID66665653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acc9562454ef446ab9c0be37a3e54107
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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