HRID1554097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID15166436

(Oxan-4-yl)methyl methanesulfonate

C7H14O4S

结构：CC(C)(C)OC(=O)Nc1ccc2[nH]cc(C(=O)C3C(C)(C)C3(C)C)c2c1

HCID67269870

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1

HCID67269539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0717ac3d7ca4669a1aed014371811ea
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

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