HRID1204663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID14853201

2-Amino-2-(4-fluorophenyl)ethan-1-ol

C8H10FNO

结构：O=[N+]([O-])c1cc(F)c(F)c(F)c1Nc1cc(C2CC2)[nH]n1

HCID86079802

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(F)c(NC(CO)c2ccc(F)cc2)c(F)c1Nc1cc(C2CC2)[nH]n1

HCID87063299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-263708957a3d442696a59895c8ada39f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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