HRID144601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

HCID21979781

1-Chloroisoquinoline-5-sulfonyl chloride

C9H5Cl2NO2S

2 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1cccc2c(Cl)nccc12

HCID21979832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0069dc8c1fa54cd7bac7850879100087
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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