HRID97727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID7059263

3-Chloro-4-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO

HCID86084732

未命名化合物

PRODUCTS

生成物

结构：OCc1ccc(Cn2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c32)cc1

HCID57597376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d69e3d57ba47d38b4433f58fe17fee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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