HRID668324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID76171

2-Chloro-N-(1-methylethyl)acetamide

C5H10ClNO

结构：Cc1nc(-c2nc3c(s2)CCOc2cc(C4CNC4)ccc2-3)n(C(C)C)n1

HCID58204104

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2nc3c(s2)CCOc2cc(C4CN(CC(=O)NC(C)C)C4)ccc2-3)n(C(C)C)n1

HCID67050515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc6c74be3f504cbab57f2eb7e70583e7
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

[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH2:62]([Cl:63])[Cl:64].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]([CH3:7])[CH3:8].[I-:44].[NH:9]1[CH2:10][CH:11]([c:13]2[cH:14][c:15]3[c:16]([cH:34][cH:35]2)-[c:17]2[n:18][c:19](-[c:25]4[n:26]([CH:31]([CH3:32])[CH3:33])[n:27][c:28]([CH3:30])[n:29]4)[s:20][c:21]2[CH2:22][CH2:23][O:24]3)[CH2:12]1.[OH2:43]>>[CH2:2]([C:3](=[O:4])[NH:5][CH:6]([CH3:7])[CH3:8])[N:9]1[CH2:10][CH:11]([c:13]2[cH:14][c:15]3[c:16]([cH:34][cH:35]2)-[c:17]2[n:18][c:19](-[c:25]4[n:26]([CH:31]([CH3:32])[CH3:33])[n:27][c:28]([CH3:30])[n:29]4)[s:20][c:21]2[CH2:22][CH2:23][O:24]3)[CH2:12]1