HRID290814

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-

HCID11265570

4-CHLORO-1-(2-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE

C11H6Cl2N4

结构：Cc1ccc(NC(=O)C(O)CN2CC(O[Si](C)(C)C(C)(C)C)C2)nc1

HCID66813223

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C(CN2CC(O[Si](C)(C)C(C)(C)C)C2)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1

HCID178426604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af37b89fe5d2482186e7acd686014b6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[Si:7]([O:8][CH:9]1[CH2:10][N:11]([CH2:13][CH:14]([C:15](=[O:16])[NH:17][c:18]2[n:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[OH:25])[CH2:12]1)([CH3:26])[CH3:27].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:28][c:29]1[c:30]2[c:31]([n:32][cH:33][n:34]1)[n:35](-[c:38]1[c:39]([Cl:44])[cH:40][cH:41][cH:42][cH:43]1)[n:36][cH:37]2.[H-:1].[Na+:2].[OH2:63].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[Si:7]([O:8][CH:9]1[CH2:10][N:11]([CH2:13][CH:14]([C:15](=[O:16])[NH:17][c:18]2[n:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[O:25][c:29]2[c:30]3[c:31]([n:32][cH:33][n:34]2)[n:35](-[c:38]2[c:39]([Cl:44])[cH:40][cH:41][cH:42][cH:43]2)[n:36][cH:37]3)[CH2:12]1)([CH3:26])[CH3:27]