HRID201666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID13696

Acetaldehyde, diphenyl-

C14H12O

HCID54680212

未命名化合物

PRODUCTS

生成物

结构：O=C(NC=C(c1ccccc1)c1ccccc1)c1sc2ccc(F)cc2c1O

HCID54680211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-837df3e561fe4338863bde8be0bd2ffb
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

[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([C:10](=[O:11])[NH2:12])[c:8]2[OH:9])[cH:13][cH:14]1.[OH2:30].[OH2:42].[c:15]1([CH:21]([CH:22]=[O:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([C:10](=[O:11])[NH:12][CH:22]=[C:21]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:8]2[OH:9])[cH:13][cH:14]1