HRID113579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

HCID130500

未命名化合物

结构：CC1(C)Cc2c(c(C(=O)O)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1

HCID178422814

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2c(c(C(=O)NCc3ccccc3C(F)(F)F)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1

HCID178422808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65a84d271328498ab0c43fab54f83828
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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