HRID93018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID36704

(Diethoxyphosphoryl)acetic acid

C6H13O5P

HCID130500

未命名化合物

结构：Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

HCID15541852

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1)OCC

HCID22270057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e08d294c7ee043ddba36dc4998205930
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

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