HRID940520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc(F)c2c(-c3ccc(OCc4ccccc4)c(C)c3)nc3c(c(C)nn3C(C)(C)C)c12

HCID66891300

未命名化合物

PRODUCTS

生成物

结构：COc1c(OCC2CCNCC2)cc(F)c2c(-c3ccc(OCc4ccccc4)c(C)c3)nc3c(c(C)nn3C(C)(C)C)c12

HCID66891636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97fc4af9aaae4e23ac316017c1f1216d
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

[CH3:1][C:2]([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH3:51])[c:8]2[c:9]1[n:10][c:11](-[c:36]1[cH:37][c:38]([CH3:50])[c:39]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:40][cH:41]1)[c:12]1[c:13]([F:35])[cH:14][c:15]([O:20][CH2:21][CH:22]3[CH2:23][CH2:24][N:25]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:26][CH2:27]3)[c:16]([O:18][CH3:19])[c:17]21.[Cl:52][CH2:53][Cl:54].[Cl:64][CH:65]([Cl:66])[Cl:67].[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61].[K+:63].[OH-:62].[OH2:68]>>[CH3:1][C:2]([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH3:51])[c:8]2[c:9]1[n:10][c:11](-[c:36]1[cH:37][c:38]([CH3:50])[c:39]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:40][cH:41]1)[c:12]1[c:13]([F:35])[cH:14][c:15]([O:20][CH2:21][CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[c:16]([O:18][CH3:19])[c:17]21