HRID124369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID11300488

未命名化合物

HCID18945133

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1

HCID44578806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ab266376a714a58800187ba90c8ee63
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

[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH:18]3[CH2:19][CH2:20]3)[cH:12][cH:13]2)[cH:7]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]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.[o:22]1[cH:23][c:24](-[c:27]2[cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34][cH:35]2)[cH:25][cH:26]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH:18]3[CH2:19][CH2:20]3)[cH:12][cH:13]2)[cH:7]1)[C:30]([c:29]1[cH:28][c:27](-[c:24]2[cH:23][o:22][cH:26][cH:25]2)[cH:35][cH:34][cH:33]1)=[O:31]