HRID321095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID5314658

未命名化合物

HCID86594256

未命名化合物

HCID178463504

6-chloro-4-(1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline

C18H13Cl2N5O2

PRODUCTS

产物

HCID178428612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a981d8eb48174cf88dffb0a5c31740c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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