HRID833755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID642838

4-Bromotriphenylamine

C18H14BrN

结构：CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

HCID21982074

2,2'-(9,9-Dioctyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

C41H64B2O4

结构：CCCCCCCC(=O)C([NH3+])(C(=O)CCCCCCC)C(=O)CCCCCCC

HCID178443786

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21

HCID21982099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c032888e78478fbd013e3cce5bb13d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([N:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20]1.[C:69]([C:70]([NH3+:71])([C:72](=[O:73])[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][CH2:79][CH3:80])[C:81](=[O:82])[CH2:83][CH2:84][CH2:85][CH2:86][CH2:87][CH2:88][CH3:89])(=[O:90])[CH2:91][CH2:92][CH2:93][CH2:94][CH2:95][CH2:96][CH3:97].[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[C:29]1([CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67])[c:30]2[cH:31][c:32]([B:51]3[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]3)[cH:33][cH:34][c:35]2-[c:36]2[cH:37][cH:38][c:39]([B:42]3[O:43][C:44]([CH3:49])([CH3:50])[C:45]([CH3:47])([CH3:48])[O:46]3)[cH:40][c:41]21.[CH3:104][C:105](=[O:106])[CH3:107].[CH3:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Cl-:68].[Na+:98].[Na+:99].[O-:100][C:101](=[O:102])[O-:103].[OH2:108]>>[c:2]1(-[c:32]2[cH:31][c:30]3[c:35]([cH:34][cH:33]2)-[c:36]2[cH:37][cH:38][c:39]([B:42]4[O:43][C:44]([CH3:49])([CH3:50])[C:45]([CH3:47])([CH3:48])[O:46]4)[cH:40][c:41]2[C:29]3([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67])[cH:3][cH:4][c:5]([N:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20]1