HRID835904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID13927594

(Oxetan-2-yl)methyl 4-methylbenzene-1-sulfonate

C11H14O4S

结构：COc1cc(C)cc(C)c1-c1cccc2c(NC(=O)OC(C)(C)C)c(SC)nn12

HCID21984503

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CCO3)C(=O)OC(C)(C)C)c(SC)nn12

HCID21984508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee36f0f7002941fe9f186eded3dc397b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][cH:13][cH:14][c:15]3[n:16]2[n:17][c:18]([S:28][CH3:29])[c:19]3[NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1.[CH3:32][c:33]1[cH:34][cH:35][c:36]([S:37]([O:38][CH2:43][CH:44]2[O:45][CH2:46][CH2:47]2)(=[O:39])=[O:40])[cH:41][cH:42]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[H-:30].[Na+:31].[OH2:48]>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][cH:13][cH:14][c:15]3[n:16]2[n:17][c:18]([S:28][CH3:29])[c:19]3[N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:43][CH:44]2[O:45][CH2:46][CH2:47]2)[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1