HRID2344860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

结构：O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1

HCID3675708

未命名化合物

HCID5360545

Sodium

3 次

HCID45787274

(2-Methylpyrimidin-5-yl)boronic acid

C5H7BN2O2

HCID82305710

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ncc(-c2cc(C(=O)O)cc(-c3ccc(F)cc3F)n2)cn1

HCID67339022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb1cd704417948f08fcb624b6ae392c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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