HRID138198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID137761

2-Fluorobenzenesulphonyl chloride

C6H4ClFO2S

结构：CC1(C)CC(c2ccccc2N)Nc2ccc(C(F)(F)F)cc21

HCID67289989

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(c2ccccc2NS(=O)(=O)c2ccccc2F)Nc2ccc(C(F)(F)F)cc21

HCID56967070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edc13824edcc46d7984cd001a4ba3e2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][C:2]1([CH3:23])[CH2:3][CH:4]([c:16]2[c:17]([NH2:18])[cH:19][cH:20][cH:21][cH:22]2)[NH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]21.[Cl:41][CH2:42][Cl:43].[F:30][c:31]1[c:32]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:33][cH:34][cH:35][cH:36]1.[OH2:44].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[CH3:1][C:2]1([CH3:23])[CH2:3][CH:4]([c:16]2[c:17]([NH:18][S:37]([c:32]3[c:31]([F:30])[cH:36][cH:35][cH:34][cH:33]3)(=[O:38])=[O:39])[cH:19][cH:20][cH:21][cH:22]2)[NH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]21