HRID2326889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID18211

Thiazole, 2-bromo-5-nitro-

C3HBrN2O2S

HCID723187

N-[2-(Trifluoromethyl)phenyl]hydrazinecarbothioamide

C8H8F3N3S

HCID737162

2-(Trifluoromethyl)phenyl isothiocyanate

C8H4F3NS

HCID178518949

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccccc2C(F)(F)F)s1

HCID178526847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90906a6345cb478da66b01e36c6af700
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:52][c:53]1[s:54][c:55]([N+:58](=[O:59])[O-:60])[cH:56][n:57]1.[CH3:62][CH2:63][OH:64].[Cl:29][C:30]([O:31][CH2:32][CH3:33])=[O:34].[F:14][C:15]([F:16])([F:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[NH:24][C:25](=[S:26])[NH:27][NH2:28].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[N:11]=[C:12]=[S:13].[OH2:61].[OH:35][c:36]1[n:37][n:38][c:39]([SH:51])[n:40]1-[c:41]1[c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][cH:44][cH:45][cH:46]1>>[OH:35][c:36]1[n:37][n:38][c:39]([S:51][c:53]2[s:54][c:55]([N+:58](=[O:59])[O-:60])[cH:56][n:57]2)[n:40]1-[c:41]1[c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][cH:44][cH:45][cH:46]1