HRID150329

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：COC(=O)c1ccc2[nH]cc(C(=O)C3C(C)(C)C3(C)C)c2c1

HCID24823930

未命名化合物

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(C(=O)O)cc23)C1(C)C

HCID67269817

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1

HCID11516830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f228947b1e994a38a0b4c9e36be3bcea
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([C:14](=[O:15])[CH:16]3[C:17]([CH3:21])([CH3:22])[C:18]3([CH3:19])[CH3:20])[cH:9][nH:10][c:11]2[cH:12][cH:13]1.[CH3:23][S:24]([O:25][CH2:28][CH:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1)(=[O:26])=[O:27].[H-:36].[Na+:35].[O:37]1[CH2:38][CH2:39][CH:40]([CH2:41][n:42]2[c:43]3[c:44]([cH:45][c:46]([C:47]([OH:48])=[O:49])[cH:50][cH:51]3)[c:52]([C:53]([CH:54]3[C:55]([CH3:56])([CH3:57])[C:58]3([CH3:59])[CH3:60])=[O:61])[cH:62]2)[CH2:63][CH2:64]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([C:14](=[O:15])[CH:16]3[C:17]([CH3:21])([CH3:22])[C:18]3([CH3:19])[CH3:20])[cH:9][n:10]([CH2:28][CH:29]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[c:11]2[cH:12][cH:13]1