HRID834523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID256593

Malonanilic acid

C9H9NO3

结构：COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C)C(=O)OC(C)(C)C

HCID57919490

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)n1C)C(=O)OC(C)(C)C

HCID57919644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91a5a3c2f5a346828c6ad20f0d563c6a
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

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