HRID665927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(N)cc4)CC3)n2)cc1OC

HCID22930977

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(NS(C)(=O)=O)cc4)CC3)n2)cc1OC

HCID18444281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66c8e756548342b985162a3b2733269c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:37][S:38]([Cl:39])(=[O:40])=[O:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[NH2:6][c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[c:21]3[n:22][c:23](-[c:27]4[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]4)[cH:24][cH:25][cH:26]3)[CH2:17][CH2:18]2)[cH:11][cH:12]1.[OH2:49]>>[NH:6]([c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[c:21]3[n:22][c:23](-[c:27]4[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]4)[cH:24][cH:25][cH:26]3)[CH2:17][CH2:18]2)[cH:11][cH:12]1)[S:38]([CH3:37])(=[O:40])=[O:41]