HRID197536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID67320480

未命名化合物

HCID67320755

1-Cyclopropyl-1,2,3,4-tetrahydroquinoxaline

C11H14N2

PRODUCTS

生成物

结构：O=C(c1cnccc1Oc1cc(Cl)c(Br)cc1Cl)N1CCN(C2CC2)c2ccccc21

HCID53312111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ea9a07fd08043edbdf27b0612f96e21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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