HRID680654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914577

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)Cc2noc3cc(Br)ccc23)CC1

HCID58656475

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(C(=O)NC2CC2)cc1-c1ccc2c(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)noc2c1

HCID58656519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfa02745f1fd4b5987bd35d9288c497e
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]2[c:5]([c:6]([CH2:9][C:10](=[O:11])[N:12]3[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[n:7][o:8]2)[cH:25][cH:26]1.[CH:27]1([NH:30][C:31]([c:32]2[cH:33][c:34]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[c:35]([CH3:38])[cH:36][cH:37]2)=[O:48])[CH2:28][CH2:29]1.[CH:55]([OH:56])([CH3:57])[CH3:58].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([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)[cH:134][cH:135]1>>[c:2]1(-[c:34]2[cH:33][c:32]([C:31]([NH:30][CH:27]3[CH2:28][CH2:29]3)=[O:48])[cH:37][cH:36][c:35]2[CH3:38])[cH:3][c:4]2[c:5]([c:6]([CH2:9][C:10](=[O:11])[N:12]3[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[n:7][o:8]2)[cH:25][cH:26]1