HRID2335939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID66174

2-Amino-5-chloropyridine

C5H5ClN2

HCID3806114

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)C(COC(C)CO[Si](C)(C)C(C)(C)C)Oc1ncnc2c1cnn2-c1ncccc1Cl

HCID178500903

未命名化合物

PRODUCTS

生成物

结构：CC(CO[Si](C)(C)C(C)(C)C)OCC(Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1

HCID76550492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b7df56a94d4cf39f5e53f878d7596e
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:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH2:19][CH:20]([CH3:21])[O:22][CH2:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[O:29][c:30]1[c:31]2[c:32]([n:33][cH:34][n:35]1)[n:36](-[c:39]1[n:40][cH:41][cH:42][cH:43][c:44]1[Cl:45])[n:37][cH:38]2)([CH3:46])[CH3:47].[C:48]([CH:49]([CH:50]([C:51]([O-:52])=[O:53])[OH:54])[OH:55])([O-:56])=[O:57].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Cl:5][c:6]1[cH:7][cH:8][c:9]([NH2:12])[n:10][cH:11]1.[K+:58].[Na+:59]>>[Cl:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:25]([CH:24]([CH2:23][O:22][CH:20]([CH2:19][O:18][Si:17]([C:13]([CH3:14])([CH3:15])[CH3:16])([CH3:46])[CH3:47])[CH3:21])[O:29][c:30]2[c:31]3[c:32]([n:33][cH:34][n:35]2)[n:36](-[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[Cl:45])[n:37][cH:38]3)=[O:26])[n:10][cH:11]1