HRID88454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1c(NCCN2CCCC2)cc(-c2nc(-c3ccccc3)no2)cc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID69242382

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1c(NCCN2CCCC2)cc(-c2nc(-c3ccccc3)no2)cc1N1CCNCC1

HCID69245483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca3f3d1f6d2d434586297245e29f5cf0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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