HRID2313521

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

HCID166653

Hydride

H-

HCID57438615

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)Oc2ncnc3c2nnn3-c2ccccc2Cl)nc1

HCID178426611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eedf68bba50486db1e096feb3a7d3cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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]([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.[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[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:53])[cH:49][cH:50][cH:51][cH:52]1)[n:45][n:46]2.[H-:1].[Na+:2].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[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]([Cl:53])[cH:49][cH:50][cH:51][cH:52]1)[n:45][n: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