HRID302495

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

HCID31374

Dimethylacetamide

C4H9NO

HCID2758015

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

C9H17BO2

结构：CC(C)CC1CC(n2nnc(C(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)OC(C)(C)C)c2I)C1

HCID71127340

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC1CC(n2nnc(C(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)OC(C)(C)C)c2C2CC2)C1

HCID71127341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-977c055df3144a4f943ed231a02a8179
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[c:18]1[n:19][n:20][n:21]([CH:24]2[CH2:25][CH:26]([CH2:28][CH:29]([CH3:30])[CH3:31])[CH2:27]2)[c:22]1[I:23])([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:64][N:65]([CH3:66])[C:67](=[O:68])[CH3:69].[CH:44]1([B:47]2[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]2)[CH2:45][CH2:46]1.[K+:61].[K+:62].[K+:63].[OH2:70].[P:56]([O-:57])([O-:58])([O-:59])=[O:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[c:18]1[n:19][n:20][n:21]([CH:24]2[CH2:25][CH:26]([CH2:28][CH:29]([CH3:30])[CH3:31])[CH2:27]2)[c:22]1[CH:44]1[CH2:45][CH2:46]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1