HRID285026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID57590027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-582a50a8944c46c08040f963d2343314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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