HRID179597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID74242

2,2,2-Trifluoroethanesulfonyl chloride

C2H2ClF3O2S

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：O=S(=O)(CC(F)(F)F)NCCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)cc1

HCID73878258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd3ec64a39344cea988606f9817fa86e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[F:17][C:18]([c:19]1[cH:20][cH:21][c:22]([CH:25]=[CH:26][c:27]2[o:28][cH:29][c:30]([CH2:32][O:33][c:34]3[cH:35][cH:36][c:37]([CH2:40][CH2:41][CH2:42][CH2:43][n:44]4[c:45]([CH2:49][CH2:50][NH2:51])[n:46][cH:47][cH:48]4)[cH:38][cH:39]3)[n:31]2)[cH:23][cH:24]1)([F:52])[F:53].[F:8][C:9]([CH2:10][S:11](=[O:12])(=[O:13])[Cl:14])([F:15])[F:16].[OH2:54]>>[F:8][C:9]([CH2:10][S:11](=[O:12])(=[O:13])[NH:51][CH2:50][CH2:49][c:45]1[n:44]([CH2:43][CH2:42][CH2:41][CH2:40][c:37]2[cH:36][cH:35][c:34]([O:33][CH2:32][c:30]3[cH:29][o:28][c:27]([CH:26]=[CH:25][c:22]4[cH:21][cH:20][c:19]([C:18]([F:17])([F:52])[F:53])[cH:24][cH:23]4)[n:31]3)[cH:39][cH:38]2)[cH:48][cH:47][n:46]1)([F:15])[F:16]