HRID2136407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

结构：CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1

HCID11226575

未命名化合物

PRODUCTS

生成物

结构：CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-434ce915f1d14553b41330ef4998fa98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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