HRID664265

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

HCID11858638

3-methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid

C13H13NO3

HCID178459175

未命名化合物

PRODUCTS

生成物

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

HCID178459180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95de29f743b0465ba6c371a186b2870c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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