HRID153286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID58015032

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ccccc21

HCID178484288

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NCCCN(C)C)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID58015024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38e3a904f3314a1d9ed71895fcfcca24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:49][N:50]([C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[N+:62]([O-:63])=[N:64]1)[CH3:65].[CH3:75][N:76]([CH2:77][CH2:78][CH2:79][NH2:80])[CH3:81].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([CH3:31])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([CH3:31])[cH:24][c:25]([C:26](=[O:28])[NH:80][CH2:79][CH2:78][CH2:77][N:76]([CH3:75])[CH3:81])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1