HRID1551022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6395

Methanesulfonic acid

CH4O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID10608378

未命名化合物

HCID10633914

未命名化合物

PRODUCTS

生成物

结构：S=C1CN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CCN1Cc1ccccc1

HCID10574671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b2ce33698f643a681571cd10d2708fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[N:43]1[C:44](=[S:49])[CH2:45][NH:46][CH2:47][CH2:48]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:19][S:20](=[O:21])(=[O:22])[Cl:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH:58]([OH:59])([CH3:60])[CH3:61].[I-:57].[K+:50].[K+:51].[Na+:56].[O-:52][C:53]([O-:54])=[O:55].[n:1]1[n:2][cH:3][n:4](-[c:6]2[cH:7][c:8]3[c:9]([CH2:15][CH2:16][CH2:17][OH:18])[cH:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:5]1>>[n:1]1[n:2][cH:3][n:4](-[c:6]2[cH:7][c:8]3[c:9]([CH2:15][CH2:16][CH2:17][N:46]4[CH2:45][C:44](=[S:49])[N:43]([CH2:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH2:48][CH2:47]4)[cH:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:5]1