HRID954574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)C(=O)OCC1OC(Br)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID14583857

未命名化合物

结构：Cc1cc(OCc2ccccc2)ccc1Cc1c(C(C)C)[nH][nH]c1=O

HCID67351077

1,2-Dihydro-5-(1-methylethyl)-4-[[2-methyl-4-(phenylmethoxy)phenyl]methyl]-3H-pyrazol-3-one

C21H24N2O2

结构：CC(C)c1[nH][nH]c(=O)c1Cc1ccc(OCCCOCc2ccccc2)cc1

HCID68941151

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccccc2)ccc1Cc1c(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)n[nH]c1C(C)C

HCID178428941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-916e18fb0a2b4fffb160301175ad5767
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:31])[O:32][CH:33]1[CH:34]([Br:61])[O:35][CH:36]([CH2:53][O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[CH:37]([O:46][C:47]([C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH:38]1[O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH3:25])[c:12]([CH2:15][c:16]2[c:17](=[O:24])[nH:18][nH:19][c:20]2[CH:21]([CH3:22])[CH3:23])[cH:13][cH:14]1.[CH2:62]([O:63][CH2:64][CH2:65][CH2:66][O:67][c:68]1[cH:69][cH:70][c:71]([CH2:72][c:73]2[c:74](=[O:75])[nH:76][nH:77][c:78]2[CH:79]([CH3:80])[CH3:81])[cH:82][cH:83]1)[c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH3:25])[c:12]([CH2:15][c:16]2[c:17]([O:24][CH:34]3[CH:33]([O:32][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH:38]([O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH:37]([O:46][C:47]([C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH:36]([CH2:53][O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[O:35]3)[n:18][nH:19][c:20]2[CH:21]([CH3:22])[CH3:23])[cH:13][cH:14]1