HRID1559781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6227

Bromoacetic acid

C2H3BrO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7237

o-Xylene

C8H10

HCID8400

Benzoin

C14H12O2

HCID14817

Phosphorus pentasulfide

P4S10

HCID151245

4,5-Diphenyl-4-oxazolin-2-one

C15H11NO2

HCID166653

Hydride

H-

HCID178527826

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(S)c1nc(-c2ccccc2)c(-c2ccccc2)o1

HCID21408360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efa5fdebbfc843538497e9593c3da572
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:69][CH2:70][C:71](=[O:72])[OH:73].[CH3:88][OH:89].[H-:68].[Na+:67].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:74].[OH:51][CH:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[C:59]([c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)=[O:66].[P:37]12(=[S:38])[S:39][P:40]3(=[S:50])[S:41][P:42](=[S:48])([S:43][P:44](=[S:47])([S:45]3)[S:46]1)[S:49]2.[SH:1][c:2]1[o:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:6]1.[c:19]1(-[c:20]2[nH:21][c:22](=[O:23])[o:24][c:25]2-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:80]1([CH3:81])[c:82]([CH3:83])[cH:84][cH:85][cH:86][cH:87]1>>[c:2]1([CH:70]([SH:38])[C:71](=[O:72])[OH:73])[o:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:6]1