HRID685531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11461

Benzoic acid, 3-methoxy-

C8H8O3

结构：Cc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2CN)c1

HCID178424732

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(=O)NCC2C3CC(C)CC3CN2C(=O)c2nc(C)sc2-c2cccc(C)c2)c1

HCID66703702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f42de071a35742368937b223dedb41a5
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

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