HRID307912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID15348

6-Amino-3-methylpyridine

C6H8N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

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

HCID57504617

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C(CCCO[Si](C)(C)C(C)(C)C)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1

HCID76550464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c379826b44c435e92990738041e27d5
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:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH2:19][CH2:20][CH2:21][CH:22]([C:23](=[O:24])[O:25][CH3:26])[O:27][c:28]1[c:29]2[c:30]([n:31][cH:32][n:33]1)[n:34](-[c:37]1[n:38][cH:39][cH:40][cH:41][c:42]1[Cl:43])[n:35][cH:36]2)([CH3:44])[CH3:45].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:5][c:6]1[cH:7][cH:8][c:9]([NH2:12])[n:10][cH:11]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[CH3:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:23]([CH:22]([CH2:21][CH2:20][CH2:19][O:18][Si:17]([C:13]([CH3:14])([CH3:15])[CH3:16])([CH3:44])[CH3:45])[O:27][c:28]2[c:29]3[c:30]([n:31][cH:32][n:33]2)[n:34](-[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[Cl:43])[n:35][cH:36]3)=[O:24])[n:10][cH:11]1