HRID698628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID288057

4-Amino-3-methoxybenzoic acid

C8H9NO3

结构：CN1C(=O)C(C)(F)CN(C2CCCCC2)c2nc(Cl)ncc21

HCID57955656

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(C)(F)C(=O)N2C

HCID57955535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6b1be27de7e4262b1772ba410a24e6c
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

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