HRID681915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc2nccc(Cl)c2s1

HCID57516658

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

结构：C[Si](C)(C)CCOCn1cc(C(=O)NC(C(=O)N2CC(C#N)C2)C2CC2)c2nc(Br)cnc21

HCID178504239

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1cc(C(=O)NC(C(=O)N2CC(C#N)C2)C2CC2)c2nc(-c3cc4nccc(Cl)c4s3)cnc21

HCID178504240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82f5a3077d194336b1113a204aba98aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](#[N:2])[CH:3]1[CH2:4][N:5]([C:7]([CH:8]([CH:9]2[CH2:10][CH2:11]2)[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:18]3[n:19][cH:20][c:21]([Br:24])[n:22][c:23]23)=[O:33])[CH2:6]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:34][c:35]1[c:36]2[c:37]([n:38][cH:39][cH:40]1)[cH:41][c:42]([Sn:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[s:43]2.[Cu:68][I:69].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([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)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[C:1](#[N:2])[CH:3]1[CH2:4][N:5]([C:7]([CH:8]([CH:9]2[CH2:10][CH2:11]2)[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:18]3[n:19][cH:20][c:21](-[c:42]4[cH:41][c:37]5[c:36]([c:35]([Cl:34])[cH:40][cH:39][n:38]5)[s:43]4)[n:22][c:23]23)=[O:33])[CH2:6]1