HRID691882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

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

HCID178448841

未命名化合物

PRODUCTS

生成物

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

HCID178427019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddadf889ac8a4909b3d38bd24d71dac5
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].[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.[CH3:70][OH:71].[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]([CH:58]([CH3:59])[CH3:60])[NH2:61])[n:56]2)[cH:62][cH:63]1.[Cl:64].[Cl:72][CH2:73][Cl:74].[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>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:61][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:63][cH:62]3)[n:56]2)[CH:58]([CH3:59])[CH3:60])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1