HRID836849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15917496

4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

C9H11ClO3S

结构：O=C(c1cc2c(s1)CCNC2)N1CCC2(CC1)CCN(c1ccncc1)CC2

HCID59483847

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N2CCc3sc(C(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)cc3C2)c(C)c1

HCID46897099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-550bcff3f5d24b39bdf2032f05619f1f
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:51](=[O:52])([O-:53])[OH:54].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][O:38][c:39]1[cH:40][c:41]([CH3:50])[c:42]([S:46](=[O:47])(=[O:48])[Cl:49])[c:43]([CH3:45])[cH:44]1.[Cl:56][CH2:57][Cl:58].[ClH:1].[Na+:55].[n:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]4[cH:20][c:21]5[c:26]([s:27]4)[CH2:25][CH2:24][NH:23][CH2:22]5)[CH2:15][CH2:16]3)[CH2:28][CH2:29]2)[cH:6][cH:7]1>>[n:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]4[cH:20][c:21]5[c:26]([s:27]4)[CH2:25][CH2:24][N:23]([S:46]([c:42]4[c:41]([CH3:50])[cH:40][c:39]([O:38][CH3:37])[cH:44][c:43]4[CH3:45])(=[O:47])=[O:48])[CH2:22]5)[CH2:15][CH2:16]3)[CH2:28][CH2:29]2)[cH:6][cH:7]1