HRID89127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：O=C(O)C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

HCID66646148

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1)NOC1CCCCO1

HCID91234732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb06f966f31e47cb97e37933d43b9720
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

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