HRID1215266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID268472

未命名化合物

结构：COc1ccc(NC(c2ccc(Cl)cc2CN=[N+]=[N-])C(F)(F)F)cc1

HCID18672426

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(c2ccc(Cl)cc2CNC(=O)C2CCCN2C(=O)OC(C)(C)C)C(F)(F)F)cc1

HCID178492229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-736297327fa4476d94364c4697d3b520
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:49](=[O:50])([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[N:56]1[CH:57]([C:58](=[O:59])[OH:60])[CH2:61][CH2:62][CH2:63]1.[CH2:45]([Cl:46])[CH2:47][Cl:48].[N:20](=[N+:21]=[N-:22])[CH2:23][c:24]1[c:25]([CH:31]([C:32]([F:33])([F:34])[F:35])[NH:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[cH:26][cH:27][c:28]([Cl:30])[cH:29]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:64].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH:20]([CH2:23][c:24]1[c:25]([CH:31]([C:32]([F:33])([F:34])[F:35])[NH:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[cH:26][cH:27][c:28]([Cl:30])[cH:29]1)[C:58]([CH:57]1[N:56]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:63][CH2:62][CH2:61]1)=[O:59]