HRID1144926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID10837

4-Phenylsemicarbazide

C7H9N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID59152564

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(COc2ccccc2C(=O)NNC(=O)Nc2ccccc2)ccn1

HCID59152494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e0efb5aa3344a38af578331907d010c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][cH:7][cH:8][c:9]([CH2:11][O:12][c:13]2[c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20][cH:21]2)[cH:10]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Na+:67].[OH-:66].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[c:22]1([NH:28][C:29]([NH:30][NH2:31])=[O:32])[cH:23][cH:24][cH:25][cH:26][cH:27]1.[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][cH:7][cH:8][c:9]([CH2:11][O:12][c:13]2[c:14]([C:15](=[O:17])[NH:31][NH:30][C:29]([NH:28][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:32])[cH:18][cH:19][cH:20][cH:21]2)[cH:10]1