HRID162557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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

结构：NC(CCNC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2[nH]1

HCID178511137

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NC(CCNC(=O)OCc2ccccc2)c2nc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CC=CC1

HCID178427090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5bbc9662d0644249a0a9d82269f6621
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[O:56][C:57](=[O:58])[NH:59][CH2:60][CH2:61][CH:62]([c:63]1[n:64][c:65]2[c:66]([nH:67]1)[cH:68][cH:69][c:70]([Cl:72])[cH:71]2)[NH2:73].[CH2:80]([OH:81])[CH3:82].[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.[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:74].[Cl:83][CH2:84][Cl:85].[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:73][CH:62]([CH2:61][CH2:60][NH:59][C:57]([O:56][CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)=[O:58])[c:63]2[n:64][c:65]3[c:66]([nH:67]2)[cH:68][cH:69][c:70]([Cl:72])[cH:71]3)[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1