HRID2127479

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

HCID178448842

未命名化合物

PRODUCTS

生成物

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

HCID178449314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaa5514a3d6b490596beebb733e76834
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:70]([OH:71])[CH3:72].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH2:58][CH2:59][CH3:60])[NH2:61])[n:56]2)[cH:62][cH:63]1.[Cl:64].[Cl:73][CH2:74][Cl:75].[N:1]1([C:6](=[O:7])[c:8]2[c:9]([CH3:17])[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:65]1[CH2:66][CH2:67][CH2:68][CH2:69]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>>[N:1]1([C:6](=[O:7])[c:8]2[c:9]([CH3:17])[cH:10][c:11]([C:12](=[O:14])[NH:61][CH:57]([c:55]3[nH:54][c:53]4[c:52]([cH:51][c:50]([Cl:49])[cH:63][cH:62]4)[n:56]3)[CH2:58][CH2:59][CH3:60])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1