HRID214322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID36704

(Diethoxyphosphoryl)acetic acid

C6H13O5P

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID58116889

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1)OCC

HCID58116908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6f37989acbd4598a3f2cb1862389df3
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

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