HRID200937

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-

结构：CCOC(=O)c1ccc(-c2ccc(O)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID57552328

未命名化合物

HCID86053285

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(OCCCCN(C(=O)C(F)(F)F)C(C)C)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID86610172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f49e9aa43b834da6bcdc4e0f6a247f0b
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

[Br:35][CH2:36][CH2:37][CH2:38][CH2:39][N:40]([C:41]([C:42]([F:43])([F:44])[F:45])=[O:46])[CH:47]([CH3:48])[CH3:49].[Cl-:50].[H-:1].[NH4+:51].[Na+:2].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:3][c:4]1[c:5](-[c:21]2[cH:22][c:23]3[c:28]([cH:29][cH:30]2)[C:27]([CH3:31])([CH3:32])[CH2:26][CH2:25][C:24]3([CH3:33])[CH3:34])[cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:14][cH:15]2)[cH:8][cH:9]1>>[O:3]([c:4]1[c:5](-[c:21]2[cH:22][c:23]3[c:28]([cH:29][cH:30]2)[C:27]([CH3:31])([CH3:32])[CH2:26][CH2:25][C:24]3([CH3:33])[CH3:34])[cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:14][cH:15]2)[cH:8][cH:9]1)[CH2:36][CH2:37][CH2:38][CH2:39][N:40]([C:41]([C:42]([F:43])([F:44])[F:45])=[O:46])[CH:47]([CH3:48])[CH3:49]