HRID1228530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID92923

Styrylacetic acid

C10H10O2

HCID4641409

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

C10H15N6O+

结构：NC(C(=O)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O)C1CCCCC1

HCID135475361

未命名化合物

PRODUCTS

生成物

结构：O=C(CC=Cc1ccccc1)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

HCID136507175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-505e6b3a44e541ec82ad942540e41bf1
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

[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[Cl:75][CH2:76][Cl:77].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]3[c:10]([c:11](-[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[nH:12][c:13]3[cH:14]1)[cH:21][n:22][nH:23][c:24]2=[O:25])[CH:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[c:32]1([CH:38]=[CH:39][CH2:40][C:41]([OH:42])=[O:43])[cH:33][cH:34][cH:35][cH:36][cH:37]1.[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]3[c:10]([c:11](-[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[nH:12][c:13]3[cH:14]1)[cH:21][n:22][nH:23][c:24]2=[O:25])[CH:39]=[CH:38][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1