HRID663641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2758015

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H17BO2

结构：CC(C)(C)CC1CC(c2onc(C(CCCOCc3ccccc3)CC(=O)OC(C)(C)C)c2I)C1

HCID71127330

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CC(c2onc(C(CCCOCc3ccccc3)CC(=O)OC(C)(C)C)c2C2CC2)C1

HCID71127331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b4f5e842abf401dae8cdc728f1d22f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:21]1[n:22][o:23][c:24]([CH:27]2[CH2:28][CH:29]([CH2:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:30]2)[c:25]1[I:26].[CH:36]1([B:39]2[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]2)[CH2:37][CH2:38]1.[K+:53].[K+:54].[K+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[P:48]([O-:49])([O-:50])([O-:51])=[O:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:21]1[n:22][o:23][c:24]([CH:27]2[CH2:28][CH:29]([CH2:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:30]2)[c:25]1[CH:36]1[CH2:37][CH2:38]1