HRID1543414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2763545

4-(4-Methylpiperazino)-1,2-benzenediamine

C11H18N4

HCID4641409

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

C10H15N6O+

HCID178524942

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(NC(=O)c3n[nH]c4ncc(Br)cc34)c(N)c2)CC1

HCID178480754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f272b9e2e413461db75143325b76a61d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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