HRID670386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID57438669

未命名化合物

结构：CC(C)(C)[Si](OCCOCC(O)C(=O)Nc1ccc(F)cn1)(c1ccccc1)c1ccccc1

HCID66813426

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](OCCOCC(Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)cn1)(c1ccccc1)c1ccccc1

HCID66813570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c1cd6627cf44baacf03c2290d4d398
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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])[NH:16][c:17]1[n:18][cH:19][c:20]([F:23])[cH:21][cH:22]1)[OH:24])([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[Cl:37][c:38]1[c:39]2[c:40]([n:41][cH:42][n:43]1)[n:44](-[c:47]1[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]1[Cl:53])[n:45][cH:46]2.[H-:1].[Na+:2].[OH2:73].[OH:55][C:56]([CH2:57][C:58]([C:59](=[O:60])[OH:61])([CH2:62][C:63](=[O:64])[OH:65])[OH:66])=[O:67]>>[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])[NH:16][c:17]1[n:18][cH:19][c:20]([F:23])[cH:21][cH:22]1)[O:24][c:38]1[c:39]2[c:40]([n:41][cH:42][n:43]1)[n:44](-[c:47]1[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]1[Cl:53])[n:45][cH:46]2)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1