HRID959350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)O)cc1

HCID11350148

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)N2CCN(C)CC2)cc1

HCID69151845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc895560e85645ab8614e943fb5c5e02
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][c:2]1[c:3](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][cH:27]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:13][cH:14][cH:15]2)=[O:21])[cH:6][cH:7]1.[CH3:74][N:75]1[CH2:76][CH2:77][NH:78][CH2:79][CH2:80]1.[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH3:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:30])[N:78]3[CH2:77][CH2:76][N:75]([CH3:74])[CH2:80][CH2:79]3)[cH:26][cH:27]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:13][cH:14][cH:15]2)=[O:21])[cH:6][cH:7]1