HRID118735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID210824

N-Benzyl-2-imino-4-methyl-2,3-dihydro-1,3-thiazole-5-carboximidic acid

C12H13N3OS

HCID6484268

4-(1H-pyrazol-1-ylmethyl)benzoic acid

C11H10N2O2

PRODUCTS

生成物

结构：Cc1nc(NC(=O)c2ccc(Cn3cccn3)cc2)sc1C(=O)NCc1ccccc1

HCID59369645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfe20587bb714b039577e8ecec77aa2d
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

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