HRID1140741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1ccc(C(=O)N2CC=CC2)c(C(F)(F)F)c1

HCID69312632

未命名化合物

HCID178511393

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CO)c1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CC=CC2)c(C(F)(F)F)c1

HCID178523451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5587f5be0b1548c189a24595bb5e4107
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:21]([F:22])([F:23])([F:24])[F:25].[CH2:72]([OH:73])[CH3:74].[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[Cl:52][c:53]1[cH:54][c:55]2[c:56]([nH:57][c:58]([CH:60]([CH2:61][OH:62])[NH2:63])[n:59]2)[cH:64][cH:65]1.[Cl:66].[Cl:75][CH2:76][Cl:77].[N:1]1([C:6](=[O:7])[c:8]2[c:9]([C:17]([F:18])([F:19])[F:20])[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1.[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[N:1]1([C:6](=[O:7])[c:8]2[c:9]([C:17]([F:18])([F:19])[F:20])[cH:10][c:11]([C:12](=[O:14])[NH:63][CH:60]([c:58]3[nH:57][c:56]4[c:55]([cH:54][c:53]([Cl:52])[cH:65][cH:64]4)[n:59]3)[CH2:61][OH:62])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1