HRID204349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID519581

3-methoxy-1H-indazole

C8H8N2O

结构：CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID57494012

未命名化合物

PRODUCTS

生成物

结构：COc1nn(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(C)(C)C(N)=O)CC4)cc3n2)c2ccccc12

HCID59605777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0371da3673549bba7fef304248e07f1
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

[CH3:30][O:31][c:32]1[n:33][nH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12.[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH2:21])([CH3:22])[CH3:23])[CH2:16][CH2:17]1)[s:10]2>>[c:2]1(-[n:34]2[n:33][c:32]([O:31][CH3:30])[c:40]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH2:21])([CH3:22])[CH3:23])[CH2:16][CH2:17]1)[s:10]2