HRID164580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

2 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：Brc1ccc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCO2

HCID178419367

未命名化合物

PRODUCTS

生成物

结构：c1ccc(COCC2OC(c3ccc(C4CC4)c(Cc4ccc5c(c4)N(Cc4ccccc4)CCO5)c3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1

HCID178420416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51999f08df6740f499c11b4e3c47858f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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