HRID186012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(NC(=O)OC(C)(C)C)no2)cc1

HCID178489258

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(N)no2)cc1

HCID178489259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10ee9d874a5b4436a0b968bb552c9d61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]2[c:7]([nH:8][n:9]1)[C:10](=[O:40])[N:11]([c:21]1[cH:22][cH:23][c:24](-[c:27]3[cH:28][c:29]([NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[n:30][o:31]3)[cH:25][cH:26]1)[CH:12]2[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1.[CH3:42][OH:43].[ClH:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]2[c:7]([nH:8][n:9]1)[C:10](=[O:40])[N:11]([c:21]1[cH:22][cH:23][c:24](-[c:27]3[cH:28][c:29]([NH2:32])[n:30][o:31]3)[cH:25][cH:26]1)[CH:12]2[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1