HRID146735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

HCID166653

Hydride

H-

结构：COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCO

HCID10302811

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCOc1ccc(C(F)(F)F)cn1

HCID21979581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc4dbf73ac65466685e7a4815deb5174
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

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