HRID1552924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(=O)OC(C)(C)C)c3ccccc34)cc2)cc1F

HCID67087096

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2(CCN(Cc3ccc(COc4ccc(CCC(=O)O)c(F)c4)cc3)CC2)c2ccccc21

HCID58230579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d1c435cd93142a4b03eb181f2ef9be2
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[c:8]([F:43])[cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][N:20]3[CH2:21][CH2:22][C:23]4([CH2:24][N:25]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]54)[CH2:39][CH2:40]3)[cH:17][cH:18]2)[cH:41][cH:42]1)=[O:44].[CH2:48]([OH:49])[CH3:50].[K+:46].[OH-:45].[OH2:47]>>[O:3]=[C:4]([CH2:5][CH2:6][c:7]1[c:8]([F:43])[cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][N:20]3[CH2:21][CH2:22][C:23]4([CH2:24][N:25]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]54)[CH2:39][CH2:40]3)[cH:17][cH:18]2)[cH:41][cH:42]1)[OH:44]