HRID194303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID24385

未命名化合物

HCID11006655

Tris(hydroxypropyl)phosphine

C9H21O3P

结构：COC(=O)c1ccc2cc(S(=O)(=O)c3ccc(C)cc3)ccc2c1

HCID11175191

未命名化合物

结构：COc1ccc(B(O)O)cc1C12CC3CC(CC(C3)C1)C2

HCID23148592

[4-Methoxy-3-(tricyclo[3.3.1.1~3,7~]decan-1-yl)phenyl]boronic acid

C17H23BO3

PRODUCTS

生成物

结构：COC(=O)c1ccc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1

HCID10526466

Methyl 6-(3-(adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate

C29H30O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3b8528087bb4a7ba15654e468d14680
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:46][O:47][c:48]1[c:49]([C:57]23[CH2:58][CH:59]4[CH2:60][CH:61]([CH2:62][CH:63]([CH2:64]2)[CH2:65]4)[CH2:66]3)[cH:50][c:51]([B:54]([OH:55])[OH:56])[cH:52][cH:53]1.[CH3:70][C:71](=[O:72])[OH:73].[Cl:67][Ni:68][Cl:69].[K+:43].[K+:44].[K+:45].[OH2:74].[OH:1][CH2:2][CH2:3][CH2:4][P:5]([CH2:6][CH2:7][CH2:8][OH:9])[CH2:10][CH2:11][CH2:12][OH:13].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[S:14]([c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)(=[O:22])(=[O:23])[c:24]1[cH:25][c:26]2[cH:27][cH:28][c:29]([C:34](=[O:35])[O:36][CH3:37])[cH:30][c:31]2[cH:32][cH:33]1>>[c:24]1(-[c:51]2[cH:50][c:49]([C:57]34[CH2:58][CH:59]5[CH2:60][CH:61]([CH2:62][CH:63]([CH2:64]3)[CH2:65]5)[CH2:66]4)[c:48]([O:47][CH3:46])[cH:53][cH:52]2)[cH:25][c:26]2[cH:27][cH:28][c:29]([C:34](=[O:35])[O:36][CH3:37])[cH:30][c:31]2[cH:32][cH:33]1