HRID671658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)CCc1c(F)cc(OCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)cc1F

HCID23143263

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCc1c(F)cc(OCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)cc1F

HCID11444646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c1c9e8ee6d9424bb4ae185e7cd96678
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

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