HRID212662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7519

Anisole

C7H8O

结构：CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(NS(=O)(=O)c2ccncc2)nc(SCc2cccc(F)c2F)n1

HCID178458996

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(NS(=O)(=O)c2ccncc2)nc(SCc2cccc(F)c2F)n1

HCID72999908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ce03f1be472472fb5efcec5708b1435
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

[CH3:62][O:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH3:70][OH:71].[F:1][c:2]1[c:3]([CH2:9][S:10][c:11]2[n:12][c:13]([O:27][CH:28]([CH2:29][O:30][C:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH3:50])[cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[n:16]2)[cH:4][cH:5][cH:6][c:7]1[F:8].[c:51]1([CH3:52])[cH:53][cH:54][c:55]([S:56]([OH:57])(=[O:58])=[O:59])[cH:60][cH:61]1>>[F:1][c:2]1[c:3]([CH2:9][S:10][c:11]2[n:12][c:13]([O:27][CH:28]([CH2:29][OH:30])[CH3:50])[cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[n:16]2)[cH:4][cH:5][cH:6][c:7]1[F:8]