HRID1556790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2737360

2-Fluoro-6-methoxybenzoic acid

C8H7FO3

结构：COc1ccc(Cn2cc(N)c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)n2)cc1

HCID178490805

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cc(NC(=O)c3c(F)cccc3OC)c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)n2)cc1

HCID178490809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aedcaad14894b5aa9f65a08fefb841c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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