HRID116838

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

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(-c2nn3c(NCCCCN)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1

HCID10140154

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nn3c(NCCCCNS(C)(=O)=O)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1

HCID10166105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcffe489a6224f7cb654ab40e99620a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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