HRID156306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)COc1ccc(SCC=C(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1C(F)(F)F

HCID69620630

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COc1ccc(SCC=C(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1C(F)(F)F

HCID10326212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cabfd8e4ee664ad691620fd71ab3d932
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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