HRID2148417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID574072

Trimethylboroxine

C3H9B3O3

结构：CC1(C)CC(c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1

HCID59769448

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1

HCID59769402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b945055315e4896a3fdd541174ab95d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]3)[cH:16][c:17]([Br:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:128][CH2:129][O:130][C:131](=[O:132])[CH3:133].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:42][B:43]1[O:44][B:45]([CH3:46])[O:47][B:48]([CH3:49])[O:50]1.[Cs+:35].[Cs+:36].[OH2:134].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]3)[cH:16][c:17]([CH3:31])[cH:18][cH:19]2)[CH2:12][CH2:13]1