HRID1203965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID145751

Methyl oxirane-2-carboxylate

C4H6O3

HCID166653

Hydride

H-

HCID57438616

未命名化合物

结构：COC(=O)C(O)COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

HCID57453775

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Oc1ncnc2c1cnn2-c1cccc(Cl)c1Cl

HCID57504549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d90ceaca20354853a20992624257db69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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