HRID1213737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC

HCID23653659

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)Nc4ccccc4)s3)c2cc1OC

HCID23654472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee8374ebb1254910ac76ba2680e08b08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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