HRID819459

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-

HCID57504694

未命名化合物

结构：Cc1ccc(NC(=O)C(O)COCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc1

HCID66813232

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C(COCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)Oc2ncnc3c2cnn3-c2cccc(C#N)c2C)nc1

HCID178426608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e11d17397e340ab8372507620b90a0a
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

[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]([CH3:23])[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.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[Cl:37][c:38]1[c:39]2[c:40]([n:41][cH:42][n:43]1)[n:44](-[c:47]1[c:48]([CH3:55])[c:49]([C:50]#[N:51])[cH:52][cH:53][cH:54]1)[n:45][cH:46]2.[H-:1].[Na+:2].[OH2:74].[OH:56][C:57]([CH2:58][C:59]([C:60](=[O:61])[OH:62])([CH2:63][C:64](=[O:65])[OH:66])[OH:67])=[O:68]>>[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]([CH3:23])[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]([CH3:55])[c:49]([C:50]#[N:51])[cH:52][cH:53][cH:54]1)[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