HRID673966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID6484228

Thiomorpholine 1,1-dioxide

C4H9NO2S

结构：COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCCl

HCID66876702

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCN1CCS(=O)(=O)CC1

HCID58267978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac0d6e0f02b84d369b70d4db6d3f217d
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

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