HRID2332877

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

反应SMILES：COC(=O)c1ccc(CN(C)c2ccc(OCc3c(C(C)C)nnn3-c3ccccc3OC(F)(F)F)nc2C)cc1C

HCID66704201

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(CN(C)c2ccc(OCc3c(C(C)C)nnn3-c3ccccc3OC(F)(F)F)nc2C)ccc1C(=O)O

HCID24862900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-47717d1f389d4477b284a7aa4b0d2a93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:41])[cH:6][c:7]([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][n:24][c:25]3[CH:26]([CH3:27])[CH3:28])[cH:17][cH:18]2)[cH:8][cH:9]1)=[O:42].[Li+:43].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH-:44]>>[O:2]=[C:3]([c:4]1[c:5]([CH3:41])[cH:6][c:7]([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][n:24][c:25]3[CH:26]([CH3:27])[CH3:28])[cH:17][cH:18]2)[cH:8][cH:9]1)[OH:42]