HRID675217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11661

Tetramethyltin

C4H12Sn

结构：O=C(c1ccc(CN2CCCC2)c(Br)c1)c1c(-c2ccc(OCCN3CCCC3)cc2)sc2cc(O)ccc12

HCID21182697

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：Cc1cc(C(=O)c2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

HCID21183003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b69598c88c1412b830d54f45732c0f8
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

[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[c:16]2[c:17]3[c:18]([s:19][c:20]2-[c:21]2[cH:22][cH:23][c:24]([O:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:25][cH:26]2)[cH:35][c:36]([OH:39])[cH:37][cH:38]3)[cH:5][cH:6][c:7]1[CH2:8][N:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:40][Sn:41]([CH3:42])([CH3:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][OH:53].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1([CH3:40])[cH:3][c:4]([C:14](=[O:15])[c:16]2[c:17]3[c:18]([s:19][c:20]2-[c:21]2[cH:22][cH:23][c:24]([O:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:25][cH:26]2)[cH:35][c:36]([OH:39])[cH:37][cH:38]3)[cH:5][cH:6][c:7]1[CH2:8][N:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1