HRID189504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID9795358

未命名化合物

HCID23291167

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(Cn2cncc2CCSCC2CCCN(CC(c3ccccc3)c3ccccc3)C2)cc1

HCID23291146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-043d8cc5db6544848dad5122005223e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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