HRID1571286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1cccc(CN(C)c2ccc(OCc3c(C(C)C)cnn3-c3ccccc3OC(F)(F)F)nc2C)c1

HCID67527997

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1N(C)Cc1cccc(C(=O)O)c1

HCID24780369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85eb91fc94074d00888ead4883d684aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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