HRID700060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID66905

Benzenemethanamine, 4-chloro-N-methyl-

C8H10ClN

结构：NCCCn1c(COCc2ccccc2)csc1=Nc1ccc(OC(F)(F)F)cc1

HCID22350937

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(Cl)cc1)Cc1csc(=Nc2ccc(OC(F)(F)F)cc2)n1CCCN

HCID23131537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0890af40adf047f5b5d4707572faed10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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