HRID1116645

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(=O)N3CCC3)o2)nc(SCc2cccc(F)c2F)n1

HCID178458994

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCC3)o2)nc(SCc2cccc(F)c2F)n1

HCID178460365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd3fd324ef624bed8d526b794193a50b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:68][O:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:77][OH:78].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[NH:15][c:16]3[n:17][c:18]([S:46][CH2:47][c:48]4[c:49]([F:55])[c:50]([F:54])[cH:51][cH:52][cH:53]4)[n:19][c:20]([O:22][CH:23]([CH2:24][O:25][C:26]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH3:45])[cH:21]3)[o:11]2)[CH2:2][CH2:3][CH2:4]1.[OH2:56].[OH2:76].[c:57]1([CH3:58])[cH:59][cH:60][c:61]([S:62]([OH:63])(=[O:64])=[O:65])[cH:66][cH:67]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[NH:15][c:16]3[n:17][c:18]([S:46][CH2:47][c:48]4[c:49]([F:55])[c:50]([F:54])[cH:51][cH:52][cH:53]4)[n:19][c:20]([O:22][CH:23]([CH2:24][OH:25])[CH3:45])[cH:21]3)[o:11]2)[CH2:2][CH2:3][CH2:4]1