HRID1228036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79222

6-Chloronicotinic acid

C6H4ClNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID2554578

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

HCID24400862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-380e78ce69fd4c27a33cfa6903ce31d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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