HRID152132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

结构：CN(C)CCN(Cc1cc(Cl)ccc1Br)C(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

HCID68507168

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCN1Cc2cc(Cl)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n2CC1=O

HCID68509559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf2444619824b5ea76fa9df27f8169e
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

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