HRID1536185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8058

n-Hexane

C6H14

结构：CC(=O)Nc1ccc2nc(-c3ccc(C4CCCCC4)cc3)cc(O)c2c1

HCID178474047

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccc(C3CCCCC3)cc2)nc2ccc(NC(C)=O)cc12

HCID22643170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15d602c8271e434ab3a30b0ee6d38734
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][O:36][S:37]([O:38][CH3:39])(=[O:40])=[O:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH:1]1([c:7]2[cH:8][cH:9][c:10](-[c:13]3[n:14][c:15]4[cH:16][cH:17][c:18]([NH:24][C:25]([CH3:26])=[O:27])[cH:19][c:20]4[c:21]([OH:23])[cH:22]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([c:7]2[cH:8][cH:9][c:10](-[c:13]3[n:14][c:15]4[cH:16][cH:17][c:18]([NH:24][C:25]([CH3:26])=[O:27])[cH:19][c:20]4[c:21]([O:23][CH3:28])[cH:22]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1