HRID113972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID7683

Acetamide, N-(4-bromophenyl)-

C8H8BrNO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID12041813

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：CC(=O)Nc1ccc(-c2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1

HCID9841217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dece649f6c674f33b90c22b4518fa712
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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