HRID111543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85588

2-Fluorophenyl isocyanate

C7H4FNO

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(N)c3ccccc3)CC2)c1

HCID22048665

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(NC(=O)Nc3ccccc3F)c3ccccc3)CC2)c1

HCID22049159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-244ae9d1a8174467afb1112de6172e41
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

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