HRID123448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6558

Isobutylamine

C4H11N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：CC(C)C1CN(C(=O)c2ccc(N)c(F)c2)CCN1Cc1cccc(C(=O)NC(C)(C)C)c1

HCID66878639

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)C(C(C)C)C2)cc1F

HCID66878845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-911f0821838b46bfbe33ce2e19f50c9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:47]([CH:48]([CH3:49])[CH3:50])[NH2:51].[Cl:34][C:35](=[O:36])[O:37][c:38]1[cH:39][cH:40][c:41]([N+:42]([O-:43])=[O:44])[cH:45][cH:46]1.[Cl:52][CH2:53][Cl:54].[NH2:1][c:2]1[c:3]([F:33])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]([CH:28]([CH3:29])[CH3:30])[N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:31][cH:32]1>>[NH:1]([c:2]1[c:3]([F:33])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]([CH:28]([CH3:29])[CH3:30])[N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:31][cH:32]1)[C:35](=[O:36])[NH:51][CH2:47][CH:48]([CH3:49])[CH3:50]