HRID2146807

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

HCID77703

p-Toluenesulphonyl isocyanate

C8H7NO3S

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(NCCCCNC(=O)NS(=O)(=O)c4ccc(C)cc4)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1

HCID10305206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-069b566db70c4c47898f197da45f7c51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:56](=[O:57])([OH:58])[O-:59].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[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:61][CH2:62][Cl:63].[Na+:60].[c:43]1([CH3:55])[cH:44][cH:45][c:46]([S:49](=[O:50])(=[O:51])[N:52]=[C:53]=[O:54])[cH:47][cH:48]1>>[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][C:53]([NH:52][S:49]([c:46]3[cH:45][cH:44][c:43]([CH3:55])[cH:48][cH:47]3)(=[O:50])=[O:51])=[O:54])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1