HRID2317024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：Cc1cc(I)ccc1Nc1c(C(=O)O)cc2nc[nH]c2c1F

HCID178427892

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(I)ccc1Nc1c(C(=O)NOC2CCCCO2)cc2nc[nH]c2c1F

HCID178427889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddeb5a5f80274dbf8e4a6c269fc12352
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

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