HRID1545568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID75646

Cyclopropanemethanamine

C4H9N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)cc3F)CC2)c1

HCID57917647

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)cc3F)CC2)c1

HCID57917593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e6424a0a9dc4465be4a806d0a54f555
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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