HRID667117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：C=C(C)C1CCC(C)C2(O)C1C=C(C)C(OC(C)=O)C2OC(=O)C1CC2(O)c3cccc(Cl)c3N(C)OC2N1

HCID18979799

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1C(C)=CC2C(C(C)C)CCC(C)C2(O)C1OC(=O)C1CC2(O)c3cccc(Cl)c3N(C)OC2N1

HCID178475369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a59f9cc5baaa49be868920c8eda4e6ae
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:42]([OH:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:39])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:35][C:36]([CH3:37])=[O:38])[C:21]([CH3:34])=[CH:22][CH:23]3[CH:24]([C:31](=[CH2:32])[CH3:33])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1.[H:40][H:41]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:39])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:35][C:36]([CH3:37])=[O:38])[C:21]([CH3:34])=[CH:22][CH:23]3[CH:24]([CH:31]([CH3:32])[CH3:33])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1