HRID1227537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7519

Anisole

C7H8O

结构：CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(NS(=O)(=O)c2ccc(C#N)o2)nc(SCc2cccc(F)c2F)n1

HCID178458993

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(NS(=O)(=O)c2ccc(C#N)o2)nc(SCc2cccc(F)c2F)n1

HCID178460364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e5c2ddd027e4cc3bc56c88be6902328
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][c:14]([S:42][CH2:43][c:44]3[c:45]([F:51])[c:46]([F:50])[cH:47][cH:48][cH:49]3)[n:15][c:16]([O:18][CH:19]([CH2:20][O:21][C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH3:41])[cH:17]2)[o:7]1.[CH3:64][O:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:73][OH:74].[OH2:52].[OH2:72].[c:53]1([CH3:54])[cH:55][cH:56][c:57]([S:58]([OH:59])(=[O:60])=[O:61])[cH:62][cH:63]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][c:14]([S:42][CH2:43][c:44]3[c:45]([F:51])[c:46]([F:50])[cH:47][cH:48][cH:49]3)[n:15][c:16]([O:18][CH:19]([CH2:20][OH:21])[CH3:41])[cH:17]2)[o:7]1