HRID2159287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7690

Benzeneacetic acid, 4-methoxy-

C9H10O3

结构：Nc1ccsc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID68785933

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)Nc2ccsc2-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

HCID68784327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59a7ecae4c6c4ff4ab40955aa9f5f22a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[cH:21][n:22][c:23](-[c:25]2[s:26][cH:27][cH:28][c:29]2[NH2:30])[cH:24]1.[CH3:31][O:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][C:40](=[O:41])[OH:42])[cH:37][cH:38]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[cH:21][n:22][c:23](-[c:25]2[s:26][cH:27][cH:28][c:29]2[NH:30][C:40]([CH2:39][c:36]2[cH:35][cH:34][c:33]([O:32][CH3:31])[cH:38][cH:37]2)=[O:41])[cH:24]1