HRID100608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

结构：O=C(Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

HCID2775746

1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

C11H5ClF3N3O3

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCN)CC2)c1

HCID16755868

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C(F)(F)F)CC2)c1

HCID22049026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f035b1e9fe842459124ff88432f5c71
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]1[O:48][CH2:49][CH2:50][CH2:51]1.[N+:26](=[O:27])([O-:28])[c:29]1[cH:30][cH:31][c:32](-[n:35]2[n:36][cH:37][c:38]([C:44](=[O:45])[Cl:46])[c:39]2[C:40]([F:41])([F:42])[F:43])[cH:33][cH:34]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([NH:20][C:21]([CH:22]([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([NH:20][C:21]([CH:22]([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1)[C:44]([c:38]1[cH:37][n:36][n:35](-[c:32]2[cH:31][cH:30][c:29]([N+:26](=[O:27])[O-:28])[cH:34][cH:33]2)[c:39]1[C:40]([F:41])([F:42])[F:43])=[O:45]