HRID1115896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID105055

Ytterbium(3+)

Yb+3

HCID119882

2-{[4-(Benzyloxy)phenoxy]methyl}oxirane

C16H16O3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

结构：CCCCNC(=O)COc1ccc2c(c1)CC(NCc1ccccc1)CCC2

HCID18007236

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)COc1ccc2c(c1)CC(N(Cc1ccccc1)CC(O)COc1ccc(OCc3ccccc3)cc1)CCC2

HCID178449528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b48a624317504a068e16df3180b61aa9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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