HRID142443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID12266372

5-Chloro-2-methyl-1,8-naphthyridine

C9H7ClN2

结构：CC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3)cc2N)cc1

HCID68460688

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3)cc2Nc2ccnc3nc(C)ccc23)cc1

HCID68456648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ece1cc077b4d439abd32e65ab4687516
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[n:9][cH:10][cH:11]1.[NH2:13][c:14]1[c:15]([S:28][c:29]2[cH:30][cH:31][c:32]([NH:35][C:36]([CH3:37])=[O:38])[cH:33][cH:34]2)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:19]1>>[c:2]1([NH:13][c:14]2[c:15]([S:28][c:29]3[cH:30][cH:31][c:32]([NH:35][C:36]([CH3:37])=[O:38])[cH:33][cH:34]3)[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:19]2)[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[n:9][cH:10][cH:11]1