HRID692002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

结构：C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1C

HCID2494

未命名化合物

HCID6422

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2CC(C)NCC2C)cc1

HCID22350018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87aa54d11e2f4d688913d6c2741a1a58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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