HRID121286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CN(C(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)c1ccc(C(=O)O)cc1Cl

HCID56834368

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(N(C)C(=O)c3cc4c(s3)-c3ccc(Br)cc3OCC4)c(Cl)c2)CC1

HCID56834369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa4ed7d8f84b4f30acf3edee53650e4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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