HRID320836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

结构：CC1(C)CC(c2cc(-c3nccs3)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1

HCID59769439

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(c2cc(-c3nccs3)ccc2N2CCNCC2)CC(C)(C)C1

HCID23142828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-457e919edd9e4fafbaa5af6956158ee4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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