HRID814242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID9161545

4-(4-Isopropylpiperazin-1-yl)aniline

C13H21N3

HCID49758022

5,8-Dibromo[1,2,4]triazolo[1,5-a]pyrazine

C5H2Br2N4

结构：CN1CCN(c2ccc(Nc3ncc(-c4csc(C(N)=O)c4)n4ncnc34)cc2)CC1

HCID57589928

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(c2ccc(Nc3ncc(Br)n4ncnc34)cc2)CC1

HCID57590046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac513ad427dc4aa59f7d0c694738f8de
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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