HRID153112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID28503

2-Iodoethylbenzene

C8H9I

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C1OC2(CCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)c2ccncc21

HCID66661504

未命名化合物

PRODUCTS

生成物

结构：O=C1OC2(CCN(C(=O)C3(c4ccc(OCCc5ccccc5)cc4)CC3)C2)c2ccncc21

HCID66661957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fccb38e131d3414da4053bac22dd8587
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:36](=[O:37])([O-:38])[O-:39].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:60][S:61](=[O:62])[CH3:63].[Cs+:40].[Cs+:41].[I-:42].[I:27][CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[cH:19][n:20][cH:21][cH:22][c:23]54)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[cH:19][n:20][cH:21][cH:22][c:23]54)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1)[CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1