HRID139812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

结构：COc1c(N2CC3(CC3)C(C)(NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID178493655

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1c(N2CC(C)(N)C3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID56657000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1cb156b3d3244858908f747fce06e80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:8][C:9]1([CH3:37])[CH2:10][N:11]([c:16]2[c:17]([F:36])[cH:18][c:19]3[c:20](=[O:35])[c:21]([C:32](=[O:33])[OH:34])[cH:22][n:23]([CH:28]4[CH:29]([F:31])[CH2:30]4)[c:24]3[c:25]2[O:26][CH3:27])[CH2:12][C:13]12[CH2:14][CH2:15]2)([CH3:5])([CH3:6])[CH3:7].[CH:39]([OH:40])([CH3:41])[CH3:42].[ClH:38]>>[ClH:38].[NH2:8][C:9]1([CH3:37])[CH2:10][N:11]([c:16]2[c:17]([F:36])[cH:18][c:19]3[c:20](=[O:35])[c:21]([C:32](=[O:33])[OH:34])[cH:22][n:23]([CH:28]4[CH:29]([F:31])[CH2:30]4)[c:24]3[c:25]2[O:26][CH3:27])[CH2:12][C:13]12[CH2:14][CH2:15]2