HRID954869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：CC(C)c1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1

HCID12562128

未命名化合物

HCID13557453

6-(Pyridin-3-yl)hexan-1-amine

C11H18N2

PRODUCTS

生成物

结构：CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cccnc4)cn3c(=O)c2c1

HCID13557454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47c9e72382464e42a623d15517180938
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]2[c:7](=[O:21])[n:8]3[c:9]([n:10][c:11]2[cH:12][cH:13]1)[cH:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]3.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Na+:66].[OH-:65].[OH2:64].[c:22]1([P:23]([N:24]=[N+:25]=[N-:26])([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[cH:34][cH:35][cH:36][cH:37][cH:38]1.[n:39]1[cH:40][c:41]([CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][NH2:51])[cH:42][cH:43][cH:44]1>>[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]2[c:7](=[O:21])[n:8]3[c:9]([n:10][c:11]2[cH:12][cH:13]1)[cH:14][cH:15][c:16]([C:18](=[O:20])[NH:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][c:41]1[cH:40][n:39][cH:44][cH:43][cH:42]1)[cH:17]3