HRID138309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID96595

3,5-Difluoroaniline

C6H5F2N

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(Nc3cc(F)cc(F)c3)ncn2)cc1

HCID22936934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07e2d11bb18a4e27aa4d9ba8b41d8463
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[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.[F:25][c:26]1[cH:27][c:28]([NH2:29])[cH:30][c:31]([F:33])[cH:32]1.[OH2:40]>>[c:2]1([NH:29][c:28]2[cH:27][c:26]([F:25])[cH:32][c:31]([F:33])[cH:30]2)[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