HRID208900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(C(C)c4ccccc4)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

HCID59333787

未命名化合物

PRODUCTS

生成物

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(C(C)c4ccccc4)n2)CNCC3)cc1

HCID59333727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7621e75070ad44f6a67be40e8bb5300f
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

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