HRID824602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID180

Acetone

C3H6O

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID15413

Methyl tert-butyl ether

C5H12O

HCID498716

未命名化合物

结构：COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CCN)CC3c3ccc(OC)cc3)cc21

HCID178495211

未命名化合物

PRODUCTS

生成物

结构：COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CCNC(C)C)CC3c3ccc(OC)cc3)cc21

HCID178495212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ebd394f74724f66bd9f045e358d6f16
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:53]([BH3-:54])#[N:55].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][CH2:43][NH2:44])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1.[CH3:45][C:46]([CH3:47])=[O:48].[CH3:49][C:50](=[O:51])[OH:52].[CH3:57][CH2:58][OH:59].[CH3:60][O:61][C:62]([CH3:63])([CH3:64])[CH3:65].[Na+:56]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][CH2:43][NH:44][CH:46]([CH3:45])[CH3:47])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1