HRID2329753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID24279182

4-(4-tert-Butylpiperazin-1-yl)aniline

C14H23N3

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)(C)N1CCN(c2ccc(Nc3ncc(Br)n4ncnc34)cc2)CC1

HCID57589994

5-Bromo-N-[4-(4-tert-butylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyrazin-8-amine

C19H24BrN7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c87ae6972aeb4824b10f6245893a8696
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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.[C:43]([CH3:44])([CH3:45])([CH3:46])[N:47]1[CH2:48][CH2:49][N:50]([c:53]2[cH:54][cH:55][c:56]([NH2:59])[cH:57][cH:58]2)[CH2:51][CH2:52]1.[CH2:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH:65]([CH3:66])[CH3:67])[CH3:68].[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.[CH3:69][CH:70]([OH:71])[CH3:72]>>[Br:32][c:33]1[cH:34][n:35][c:36]([NH:59][c:56]2[cH:55][cH:54][c:53]([N:50]3[CH2:49][CH2:48][N:47]([C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:52][CH2:51]3)[cH:58][cH:57]2)[c:37]2[n:38]1[n:39][cH:40][n:41]2