HRID300409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6329

Methylamine

CH5N

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(F)c([N+](=O)[O-])c2)n1

HCID58729125

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1[N+](=O)[O-]

HCID58729034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efe5f344b9a84679a0b0e5ceeec06955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:37])[c:14](-[c:18]3[n:19][c:20]([NH:26][c:27]4[cH:28][c:29]([N+:34](=[O:35])[O-:36])[c:30]([F:33])[cH:31][cH:32]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:38][cH:39]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:40][NH2:41].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:37])[c:14](-[c:18]3[n:19][c:20]([NH:26][c:27]4[cH:28][c:29]([N+:34](=[O:35])[O-:36])[c:30]([NH:41][CH3:40])[cH:31][cH:32]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:38][cH:39]1