HRID98803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID4641409

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

C10H15N6O+

HCID6484100

3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

C12H11NO4

HCID66692270

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cc(Cl)c(N2CCN(C(=O)c3c(-c4ccccc4OC)noc3C)CC2)cc1N

HCID66695735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f83c1a7c5ea4310a573023eef124931
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

[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][o:11][c:12]([CH3:17])[c:13]2[C:14](=[O:15])[OH:16])[cH:5][cH:6][cH:7][cH:8]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:76][N:77]1[CH2:78][CH2:79][CH2:80][C:81]1=[O:82].[Cl:18][c:19]1[cH:20][c:21]([CH:32]=[CH2:33])[c:22]([NH2:23])[cH:24][c:25]1[N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[Cl:72][CH2:73][Cl:74].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40].[OH2:75].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][o:11][c:12]([CH3:17])[c:13]2[C:14](=[O:16])[N:29]2[CH2:28][CH2:27][N:26]([c:25]3[c:19]([Cl:18])[cH:20][c:21]([CH:32]=[CH2:33])[c:22]([NH2:23])[cH:24]3)[CH2:31][CH2:30]2)[cH:5][cH:6][cH:7][cH:8]1