HRID1562181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)C1CCN(Cc2ccc(C3=CC(=C4C(=O)Nc5cc(F)c(F)cc54)OC3(C)C)cc2)CC1

HCID69411976

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)c(F)cc32)C=C1c1ccc(CN2CCC(C(=O)O)CC2)cc1

HCID69402052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-080c2fd803f64996a8ecef7434a367a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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