HRID1112937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID6342

Acetonitrile

C2H3N

结构：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)CC1

HCID57840480

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(N)c2)CC1

HCID57840339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e37a86a58a4a4546ad0defb906a5b62c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:8][c:9]1[cH:10][c:11]([N:16]2[CH2:17][CH2:18][N:19]([C:22]([CH2:23][n:24]3[n:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([Cl:30])[c:28]3[CH3:29])=[O:35])[CH2:20][CH2:21]2)[cH:12][cH:13][c:14]1[Cl:15])([CH3:5])([CH3:6])[CH3:7].[CH3:36][C:37]#[N:38].[CH3:39][OH:40].[CH:42]([OH:43])([CH3:44])[CH3:45].[ClH:41]>>[NH2:8][c:9]1[cH:10][c:11]([N:16]2[CH2:17][CH2:18][N:19]([C:22]([CH2:23][n:24]3[n:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([Cl:30])[c:28]3[CH3:29])=[O:35])[CH2:20][CH2:21]2)[cH:12][cH:13][c:14]1[Cl:15]