HRID143702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

HCID4641409

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

C10H15N6O+

HCID67133239

未命名化合物

PRODUCTS

生成物

结构：CCCCCCc1cccc(-c2nc(I)c(C(=O)N3CCC(N4CCCC4)CC3)n2C)c1

HCID57541122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ce31de594474f1cb1b37058f821974e
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

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