HRID151182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID5462222

Potassium

结构：Cn1cnnc1C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID9891092

未命名化合物

PRODUCTS

生成物

结构：Cn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID21082040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b05dc1eff9d54994861eb2c15ce5df11
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][C:35]([CH3:36])([CH3:37])[OH:38].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10](=[O:33])[n:11]([CH3:32])[c:12]3[cH:13][cH:14][c:15]([CH:18]([c:19]4[n:20][n:21][cH:22][n:23]4[CH3:24])[c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7]1.[K:39].[OH2:40]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10](=[O:33])[n:11]([CH3:32])[c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[n:20][n:21][cH:22][n:23]4[CH3:24])([c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]4)[OH:38])[cH:16][c:17]23)[cH:5][cH:6][cH:7]1