HRID150079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID16781979

未命名化合物

HCID86617543

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN4CCOCC4)cc3)nc21

HCID68684307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45ba4d5046d749e582e7f3d5d872fed6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:36][CH2:37][OH:38].[CH3:40][OH:41].[Cl:19][c:20]1[n:21][cH:22][c:23]2[c:29]([n:30]1)[N:28]([CH:31]([CH3:32])[CH3:33])[CH2:27][CH2:26][C:25](=[O:34])[N:24]2[CH3:35].[ClH:39].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[cH:17][cH:18]1.[OH2:42]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[cH:17][cH:18]1)[c:20]1[n:21][cH:22][c:23]2[c:29]([n:30]1)[N:28]([CH:31]([CH3:32])[CH3:33])[CH2:27][CH2:26][C:25](=[O:34])[N:24]2[CH3:35]