HRID139514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID61778

Bisulfate anion

HO4S-

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID10312563

Trityl candesartan

C43H34N6O3

HCID178492746

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc2cccc(C(=O)OC(C)OC(=O)C3CC(OC)C(O[N+](=O)[O-])C3)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178467371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf0f69d1e67468693acf13dfc9e531c
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:53](=[O:54])([O-:55])[O-:56].[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25][n:26]4[C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[OH:52])[cH:47][cH:48][cH:49]2.[CH2:81]([N+:82]([CH2:83][CH2:84][CH2:85][CH3:86])([CH2:87][CH2:88][CH2:89][CH3:90])[CH2:91][CH2:92][CH2:93][CH3:94])[CH2:95][CH2:96][CH3:97].[CH3:59][O:60][CH:61]1[CH2:62][CH:63]([C:70](=[O:71])[O:72][CH:73]([CH3:74])[Cl:75])[CH2:64][CH:65]1[O:66][N+:67](=[O:68])[O-:69].[CH3:98][N:99]([CH3:100])[CH:101]=[O:102].[Cs+:57].[Cs+:58].[S:76]([O-:77])([OH:78])(=[O:79])=[O:80]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25][n:26]4[C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][CH:73]([O:72][C:70]([CH:63]1[CH2:62][CH:61]([O:60][CH3:59])[CH:65]([O:66][N+:67](=[O:68])[O-:69])[CH2:64]1)=[O:71])[CH3:74])[cH:47][cH:48][cH:49]2