HRID106347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID2346

Benzyl isothiocyanate

C8H7NS

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID18211

Thiazole, 2-bromo-5-nitro-

C3HBrN2O2S

HCID737135

Hydrazinecarbothioamide, N-(phenylmethyl)-

C8H11N3S

HCID178518950

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cnc(Sc2nnc(O)n2Cc2ccccc2)s1

HCID178526850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc532156e6d94cf18fba1a9dd6677730
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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