查数据/反应详情

HRID91160

反应详情

EQUATION

反应方程式

HRID 91160 的结构方程式

REACTANTS

反应物

2

结构：CO

Methanol

CH4O

结构：Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)nc(C)c1NC(=O)OC(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：Cc1nc(OCC(=O)N(C)C2CCNCC2)nc(C)c1NC(=O)OC(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1105c7b5c6504beeaadaaa9fc91d4c74
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

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

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