HRID109998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)Nc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID10175511

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID69780857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cbf383611024972a1d3314df550d904
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:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([NH:13][c:14]1[cH:15][c:16]([O:20][CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:39][c:40]2[c:41]([Cl:50])[c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]2)[cH:17][cH:18][cH:19]1)=[O:51].[CH3:3][S:4]([CH3:5])=[O:6].[CH3:52][O:53][C:54]([CH2:55][Br:56])=[O:57].[H-:1].[Na+:2].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([N:13]([c:14]1[cH:15][c:16]([O:20][CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:39][c:40]2[c:41]([Cl:50])[c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]2)[cH:17][cH:18][cH:19]1)[CH2:55][C:54]([O:53][CH3:52])=[O:57])=[O:51]