HRID2132017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(c1ccccc1)c1ccccc1SSc1ccccc1C(=O)c1ccccc1

HCID18935315

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)c1ccccc1SSc1ccccc1C(=NO)c1ccccc1

HCID6483564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aa0c7c79ca24f3685a37e25b88295f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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