HRID939497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2724995

未命名化合物

结构：Cn1c(=O)oc2ccc(-c3ccc(CC(NC(=O)C4CCCCN4C(=O)OC(C)(C)C)C(N)=O)cc3)cc21

HCID76700709

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)C4CCCCN4C(=O)OC(C)(C)C)cc3)cc21

HCID76700705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-285677f5adab4e63af563a1c08d0b769
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

[CH3:2][O:3][C:4]([NH:5][S:6]([N+:7]([CH2:8][CH3:9])([CH2:10][CH3:11])[CH2:12][CH3:13])(=[O:14])=[O:15])=[O:16].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:63][CH2:64][Cl:65].[NH2:17][C:18]([CH:19]([CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][c:30]3[c:31]([n:32]([CH3:36])[c:33](=[O:35])[o:34]3)[cH:37]2)[cH:25][cH:26]1)[NH:38][C:39](=[O:40])[CH:41]1[N:42]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[CH2:43][CH2:44][CH2:45][CH2:46]1)=[O:54].[OH-:1].[OH2:62]>>[N:17]#[C:18][CH:19]([CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][c:30]3[c:31]([n:32]([CH3:36])[c:33](=[O:35])[o:34]3)[cH:37]2)[cH:25][cH:26]1)[NH:38][C:39](=[O:40])[CH:41]1[N:42]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[CH2:43][CH2:44][CH2:45][CH2:46]1