HRID100587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COC(=O)C1CN(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCN1C(=O)c1ccc(NC(=O)NCC2CC2)cc1

HCID59175829

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CC1)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2C(=O)O)cc1

HCID59175886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffa861c18c24454faa7f08d5dc141973
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

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