HRID2332287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID1810216

3-Isoxazolamine

C3H4N2O

反应SMILES：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)cc3)CC2)c1

HCID66877986

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccon4)cc3)CC2)c1

HCID57917591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d986c16549974f16a796a9bc974ebd55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Cl:30][C:31](=[O:32])[O:33][c:34]1[cH:35][cH:36][c:37]([N+:38]([O-:39])=[O:40])[cH:41][cH:42]1.[Cl:49][CH2:50][Cl:51].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][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:28][cH:29]1.[o:43]1[n:44][c:45]([NH2:48])[cH:46][cH:47]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][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:28][cH:29]1)[C:31](=[O:32])[NH:48][c:45]1[n:44][o:43][cH:47][cH:46]1