HRID108937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2777057

2,4,5-Trifluorobenzyl bromide

C7H4BrF3

结构：CC(C)(C)OC(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1CO

HCID22403996

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1COCc1cc(F)c(F)cc1F

HCID178452503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28634254bdf040099761c7f6de9d40a3
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:33][OH:34])[CH2:10][CH:11]([S:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:12]1.[Cl-:48].[F:35][c:36]1[c:37]([CH2:38][Br:39])[cH:40][c:41]([F:45])[c:42]([F:44])[cH:43]1.[H-:47].[NH4+:49].[Na+:46].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:33][O:34][CH2:38][c:37]2[c:36]([F:35])[cH:43][c:42]([F:44])[c:41]([F:45])[cH:40]2)[CH2:10][CH:11]([S:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:12]1