HRID1558204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

结构：CC(C)(C)OC(=O)NCCC(Nc1nccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1)c1ccccc1

HCID178453508

未命名化合物

PRODUCTS

生成物

结构：NCCC(Nc1nccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1)c1ccccc1

HCID178511122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc6615d26147493d82668216973ac3dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][CH:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][c:18]1[n:19][cH:20][cH:21][c:22](-[c:24]2[n:25][nH:26][c:27]3[n:28][c:29]([NH:33][CH2:34][CH2:35][N:36]4[CH2:37][CH2:38][O:39][CH2:40][CH2:41]4)[n:30][cH:31][c:32]23)[n:23]1)([CH3:5])([CH3:6])[CH3:42].[CH3:44][CH2:45][OH:46].[ClH:43]>>[NH2:7][CH2:8][CH2:9][CH:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][c:18]1[n:19][cH:20][cH:21][c:22](-[c:24]2[n:25][nH:26][c:27]3[n:28][c:29]([NH:33][CH2:34][CH2:35][N:36]4[CH2:37][CH2:38][O:39][CH2:40][CH2:41]4)[n:30][cH:31][c:32]23)[n:23]1