HRID1562894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C

HCID17750221

tert-Butyl [2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C18H28BNO5

结构：Nc1ncnc2c1c(I)nn2C1CCN(C(=O)OCc2ccccc2)CC1

HCID22346867

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：COc1cc(-c2nn(C3CCN(C(=O)OCc4ccccc4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

HCID22346687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5762e10186147ea8fbdbd1a2a1533bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:28][O:29][c:30]1[c:31]([NH:45][C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[cH:32][cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1.[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:12]1[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:16][CH2:17]1)[n:9][c:10]2[I:11].[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[OH2:65].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:12]1[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:16][CH2:17]1)[n:9][c:10]2-[c:34]1[cH:33][cH:32][c:31]([NH:45][C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[c:30]([O:29][CH3:28])[cH:35]1