HRID1228795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID68728682

未命名化合物

HCID178512244

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CC(C)N(C(=NC#N)Nc4cccc(Br)c4)CC3C)c12

HCID178430823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de74987b44064ee796fb89f8506bc7a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:19][c:20]1[cH:21][c:22]([NH:26][C:27]([O:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[N:35][C:36]#[N:37])[cH:23][cH:24][cH:25]1.[CH3:1][CH:2]1[N:3]([c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[nH:15][cH:16][c:17]3[CH3:18])[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[CH:47]([OH:48])([CH3:49])[CH3:50]>>[CH3:1][CH:2]1[N:3]([c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[nH:15][cH:16][c:17]3[CH3:18])[CH2:4][CH:5]([CH3:8])[N:6]([C:27]([NH:26][c:22]2[cH:21][c:20]([Br:19])[cH:25][cH:24][cH:23]2)=[N:35][C:36]#[N:37])[CH2:7]1