HRID112866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCCl

HCID66876340

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCN1CCCCC1

HCID44243179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17e774bbe85e425ab65952767220bd29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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]([O: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.[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH2:44]([N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[I-:43].[OH2:61]>>[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]([O: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][CH2:37][CH2:42][CH2:41]5)[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1