HRID678797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID66174

2-Amino-5-chloropyridine

C5H5ClN2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)C(O)COCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

HCID57453775

未命名化合物

PRODUCTS

生成物

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

HCID66813171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1c43ae8916542bc907fae87a10ead16
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:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH:23]([C:24](=[O:25])[O:26][CH3:27])[OH:28])([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:5][c:6]1[cH:7][cH:8][c:9]([NH2:12])[n:10][cH:11]1.[OH2:61].[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[Cl:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:24]([CH:23]([CH2:22][O:21][CH2:20][CH2:19][O:18][Si:17]([C:13]([CH3:14])([CH3:15])[CH3:16])([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[OH:28])=[O:25])[n:10][cH:11]1