HRID97745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID62576

Benzyl bromoacetate

C9H9BrO2

HCID166653

Hydride

H-

结构：COCCOCOc1cc2c(cc1F)C(O)(c1ccc(N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c(O)c1)c1cc(F)c(OCOCCOC)cc1O2

HCID68638322

未命名化合物

PRODUCTS

生成物

结构：COCCOCOc1cc2c(cc1F)C(O)(c1ccc(N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c(OCC(=O)OCc3ccccc3)c1)c1cc(F)c(OCOCCOC)cc1O2

HCID86596787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6c791798fda4a00b47cfc15e7359537
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:58][CH2:59][C:60](=[O:61])[O:62][CH2:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([c:9]1[c:10]([OH:46])[cH:11][c:12]([C:15]2([OH:45])[c:16]3[cH:17][c:18]([F:44])[c:19]([O:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH3:43])[cH:20][c:21]3[O:22][c:23]3[cH:24][c:25]([O:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH3:36])[c:26]([F:29])[cH:27][c:28]32)[cH:13][cH:14]1)[CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55].[H-:56].[Na+:57].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([c:9]1[c:10]([O:46][CH2:59][C:60](=[O:61])[O:62][CH2:63][c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:11][c:12]([C:15]2([OH:45])[c:16]3[cH:17][c:18]([F:44])[c:19]([O:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH3:43])[cH:20][c:21]3[O:22][c:23]3[cH:24][c:25]([O:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH3:36])[c:26]([F:29])[cH:27][c:28]32)[cH:13][cH:14]1)[CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55]