HRID90077

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

结构：NCCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)cc1

HCID69554270

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NCCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)cc1

HCID69554230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f41357b4724c94b3ea288b791749e0
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

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