HRID2324475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID23925

Iron

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c(F)c3)CC2CF)c1

HCID57917722

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2CF)c1

HCID57917667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39e1146fb2424ac2b33ea1ffe3327c2c
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH:15]([CH2:32][F:33])[CH2:16][N:17]([C:20]([c:21]3[cH:22][c:23]([F:30])[c:24]([N+:27]([O-:28])=[O:29])[cH:25][cH:26]3)=[O:31])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:34].[CH:36]([OH:37])([CH3:38])[CH3:39].[ClH:35].[Fe:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH:15]([CH2:32][F:33])[CH2:16][N:17]([C:20]([c:21]3[cH:22][c:23]([F:30])[c:24]([NH2:27])[cH:25][cH:26]3)=[O:31])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:34]