HRID96939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)Nc2cccnc2)c1

HCID58630234

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccccc2)CC3)c(C(=O)Nc2cccnc2)c1

HCID58630250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cead8e379a304135bc4b27366ff58b85
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

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