HRID1558389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID689105

1-Methylindazole-3-carboxylic acid

C9H8N2O2

反应SMILES：Cc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(F)(F)CC3C2CN)c1

HCID178424748

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(F)(F)CC3C2CNC(=O)c2nn(C)c3ccccc23)c1

HCID178424752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7860aef5aca147038c587767b5df479f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH3:28][n:29]1[n:30][c:31]([C:38](=[O:39])[OH:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[NH2:1][CH2:2][CH:3]1[CH:4]2[CH2:5][C:6]([F:26])([F:27])[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][C:6]([F:26])([F:27])[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:38]([c:31]1[n:30][n:29]([CH3:28])[c:37]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2)=[O:39]