HRID1230000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID3776

Isopropanol

C3H8O

结构：COC(=O)CCNC(=O)c1ccc(N(Cc2ccc(-n3cc(C(F)(F)F)cn3)cc2C)C2CCCCC2)nc1

HCID68157932

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-n2cc(C(F)(F)F)cn2)ccc1CN(c1ccc(C(=O)NCCC(=O)O)cn1)C1CCCCC1

HCID68156670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9eb86588c964825ab3d72a42f08be10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:40](=[O:41])=[O:42].[CH3:43][CH:44]([OH:45])[CH3:46].[CH:1]1([N:7]([c:8]2[n:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][C:17](=[O:18])[O:19][CH3:20])[cH:21][cH:22]2)[CH2:23][c:24]2[c:25]([CH3:39])[cH:26][c:27](-[n:30]3[n:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[cH:28][cH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([N:7]([c:8]2[n:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[cH:21][cH:22]2)[CH2:23][c:24]2[c:25]([CH3:39])[cH:26][c:27](-[n:30]3[n:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[cH:28][cH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1