HRID1209149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759549

2-(3-methoxyphenyl)benzoic Acid

C14H12O3

HCID178432442

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2ccccc2C(=O)N2CC3CC(C)CC3C2CNC(=O)c2c(C)nc3sccn23)c1

HCID178489690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3af3a341ab114c9a9b80fb49f82c7dac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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