HRID143687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11584

Allyl acetate

C5H8O2

结构：CCNC(=O)N(CCCN(C)C)C(=O)C1CNC2Cc3c[nH]c4cccc(c34)C2C1

HCID85081311

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：C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)CC21

HCID2512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a5f9ff5223d4434b0a201c9d50afe10
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:31]([O:32][CH2:35][CH:36]=[CH2:37])(=[O:33])[CH3:34].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][N:6]([C:7](=[O:8])[CH:9]1[CH2:10][NH:11][CH:12]2[CH2:13][c:14]3[cH:15][nH:16][c:17]4[cH:18][cH:19][cH:20][c:21]([c:24]34)[CH:22]2[CH2:23]1)[C:25](=[O:26])[NH:27][CH2:28][CH3:29])[CH3:30].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([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)[cH:120][cH:121]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][N:6]([C:7](=[O:8])[CH:9]1[CH2:10][N:11]([CH2:37][CH:36]=[CH2:35])[CH:12]2[CH2:13][c:14]3[cH:15][nH:16][c:17]4[cH:18][cH:19][cH:20][c:21]([c:24]34)[CH:22]2[CH2:23]1)[C:25](=[O:26])[NH:27][CH2:28][CH3:29])[CH3:30]