HRID302667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID10439

2-Aminopyridine

C5H6N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1)Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl

HCID57504718

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC1CN(CC(Oc2ncnc3c2cnn3-c2c(Cl)cccc2Cl)C(=O)Nc2ccccn2)C1

HCID59279496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3f8c37de1a7483f80bf88dc9de3cec0
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:12]([CH3:13])([CH3:14])([CH3:15])[Si:16]([O:17][CH:18]1[CH2:19][N:20]([CH2:22][CH:23]([C:24](=[O:25])[O:26][CH3:27])[O:28][c:29]2[c:30]3[c:31]([n:32][cH:33][n:34]2)[n:35](-[c:38]2[c:39]([Cl:45])[cH:40][cH:41][cH:42][c:43]2[Cl:44])[n:36][cH:37]3)[CH2:21]1)([CH3:46])[CH3:47].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:69][CH2:70][Cl:71].[OH2:68].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60].[n:5]1[c:6]([NH2:11])[cH:7][cH:8][cH:9][cH:10]1>>[n:5]1[c:6]([NH:11][C:24]([CH:23]([CH2:22][N:20]2[CH2:19][CH:18]([O:17][Si:16]([C:12]([CH3:13])([CH3:14])[CH3:15])([CH3:46])[CH3:47])[CH2:21]2)[O:28][c:29]2[c:30]3[c:31]([n:32][cH:33][n:34]2)[n:35](-[c:38]2[c:39]([Cl:45])[cH:40][cH:41][cH:42][c:43]2[Cl:44])[n:36][cH:37]3)=[O:25])[cH:7][cH:8][cH:9][cH:10]1