HRID686874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5054

Resorcinol

C6H6O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7237

o-Xylene

C8H10

HCID24386

Thionyl chloride

Cl2OS

HCID5359268

Aluminum

结构：CCCCC(CC)COc1ccc(-c2nc(O)nc(-c3ccc(OCC(CC)CCCC)cc3)n2)cc1

HCID178443717

未命名化合物

PRODUCTS

生成物

结构：CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)cc3)nc(-c3ccc(O)cc3O)n2)cc1

HCID135563262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e72d8161f17464c8c8c04036682c736
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

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