HRID2155669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID15728328

2-(Cyclohexylthio)acetic acid

C8H14O2S

结构：CC(C)(C)S(=O)NC(Cc1cc(F)c(F)cc1F)C1CCNCC1

HCID76674345

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)S(=O)NC(Cc1cc(F)c(F)cc1F)C1CCN(C(=O)CSC2CCCCC2)CC1

HCID178455578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d62af5614c814922b67d98abfb349b85
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

[CH2:25]([Cl:26])[CH2:27][Cl:28].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH:48]1([S:54][CH2:55][C:56](=[O:57])[OH:58])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[Cl:64][CH2:65][Cl:66].[NH:1]1[CH2:2][CH2:3][CH:4]([CH:7]([CH2:8][c:9]2[c:10]([F:17])[cH:11][c:12]([F:16])[c:13]([F:15])[cH:14]2)[NH:18][S:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:5][CH2:6]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1>>[N:1]1([C:56]([CH2:55][S:54][CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)=[O:57])[CH2:2][CH2:3][CH:4]([CH:7]([CH2:8][c:9]2[c:10]([F:17])[cH:11][c:12]([F:16])[c:13]([F:15])[cH:14]2)[NH:18][S:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:5][CH2:6]1