HRID695458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9584

o-Fluoroaniline

C6H6FN

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：O=C(Nc1ccccc1)Nc1ccc(Oc2cc(Cl)ncn2)cc1

HCID22937019

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)Nc1ccc(Oc2cc(Nc3ccccc3F)ncn2)cc1

HCID22936905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3857ebf964f429fbd6270ab8459e9fc
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

[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][C:45]1=[O:46].[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]2)[n:5][cH:6][n:7]1.[NH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1[F:32].[OH2:39]>>[c:2]1([NH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[F:32])[cH:3][c:4]([O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]2)[n:5][cH:6][n:7]1