HRID175323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID10053461

5-[4'-(Bromomethyl)[1,1'-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole

C33H25BrN4

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)[nH]1

HCID178440076

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036162

Tritylolmesartan medoxomil

C48H44N6O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c709127469d94434a4f419e48f02ab0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[n:49]1[n:50][n:51][n:52][c:53]1-[c:54]1[c:55](-[c:60]2[cH:61][cH:62][c:63]([CH2:64][Br:65])[cH:66][cH:67]2)[cH:56][cH:57][cH:58][cH:59]1.[CH3:68][N:69]([CH3:70])[C:71](=[O:72])[CH3:73].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[K+:5].[K+:6].[OH:7][C:8]([CH3:9])([CH3:10])[c:11]1[n:12][c:13]([CH2:27][CH2:28][CH3:29])[nH:14][c:15]1[C:16](=[O:17])[O:18][CH2:19][c:20]1[o:21][c:22](=[O:26])[o:23][c:24]1[CH3:25]>>[OH:7][C:8]([CH3:9])([CH3:10])[c:11]1[n:12][c:13]([CH2:27][CH2:28][CH3:29])[n:14]([CH2:64][c:63]2[cH:62][cH:61][c:60](-[c:55]3[c:54](-[c:53]4[n:49]([C:30]([c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[n:50][n:51][n:52]4)[cH:59][cH:58][cH:57][cH:56]3)[cH:67][cH:66]2)[c:15]1[C:16](=[O:17])[O:18][CH2:19][c:20]1[o:21][c:22](=[O:26])[o:23][c:24]1[CH3:25]