HRID190021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

结构：COc1c(C(=O)NC2CCN(C(=O)COC(C)=O)CC2)n(C)c2c1c(=O)n(Cc1cccc(OC(F)(F)F)c1)c1ccccc21

HCID66892980

未命名化合物

PRODUCTS

生成物

结构：COc1c(C(=O)NC2CCN(C(=O)CO)CC2)n(C)c2c1c(=O)n(Cc1cccc(OC(F)(F)F)c1)c1ccccc21

HCID57860019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09cd48130df54684ac93145d4025bfe9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[O:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15](=[O:16])[c:17]2[c:18]([O:44][CH3:45])[c:19]3[c:20](=[O:43])[n:21]([CH2:31][c:32]4[cH:33][c:34]([O:38][C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37]4)[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[c:28]3[n:29]2[CH3:30])[CH2:12][CH2:13]1.[C:46](=[O:47])([O-:48])[O-:49].[C:57](=[O:58])([O-:59])[OH:60].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[K+:50].[K+:51].[Na+:61]>>[OH:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15](=[O:16])[c:17]2[c:18]([O:44][CH3:45])[c:19]3[c:20](=[O:43])[n:21]([CH2:31][c:32]4[cH:33][c:34]([O:38][C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37]4)[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[c:28]3[n:29]2[CH3:30])[CH2:12][CH2:13]1