HRID197255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(OCC2COC(C)(C)O2)c1

HCID67255578

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(OCC(O)CO)c1

HCID67256341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad086d8614c34cf88c05c253fae7cc11
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

[CH3:40][c:41]1[cH:42][cH:43][c:44]([S:45](=[O:46])(=[O:47])[OH:48])[cH:49][cH:50]1.[CH3:51][OH:52].[F:1][C:2]1([F:39])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[n:18][c:19](-[c:24]5[cH:25][c:26]([O:30][CH2:31][CH:32]6[O:33][C:34]([CH3:37])([CH3:38])[O:35][CH2:36]6)[cH:27][cH:28][cH:29]5)[c:20]([CH3:23])[cH:21][cH:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[OH2:53]>>[F:1][C:2]1([F:39])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[n:18][c:19](-[c:24]5[cH:25][c:26]([O:30][CH2:31][CH:32]([OH:33])[CH2:36][OH:35])[cH:27][cH:28][cH:29]5)[c:20]([CH3:23])[cH:21][cH:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1