HRID696257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID3697076

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C14H23BO4

HCID11714598

(4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphine

C16H28NP

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1nnc(-c2ccccc2)o1

HCID59471994

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C2=CCC3(CC2)OCCO3)nc1-c1nnc(-c2ccccc2)o1

HCID66744206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6448ccb066541ada5dcd6dd92d0ca4b
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

[Br:1][c:2]1[n:3][c:4](-[c:23]2[o:24][c:25](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:26][n:27]2)[c:5]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:6][cH:7]1.[C:53]([P:54]([C:55]([CH3:56])([CH3:57])[CH3:58])[c:59]1[cH:60][cH:61][c:62]([N:63]([CH3:64])[CH3:65])[cH:66][cH:67]1)([CH3:68])([CH3:69])[CH3:70].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Cl:85][CH2:86][Cl:87].[Cl:88][Pd:89][Cl:90].[K+:71].[K+:72].[O-:73][C:74]([O-:75])=[O:76].[O:34]1[CH2:35][CH2:36][O:37][C:38]12[CH2:39][CH:40]=[C:41]([B:44]1[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]1)[CH2:42][CH2:43]2.[OH2:84]>>[c:2]1([C:41]2=[CH:40][CH2:39][C:38]3([O:34][CH2:35][CH2:36][O:37]3)[CH2:43][CH2:42]2)[n:3][c:4](-[c:23]2[o:24][c:25](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:26][n:27]2)[c:5]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:6][cH:7]1