HRID1203981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11128255

未命名化合物

HCID67409865

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ncc3c(I)c(OC4CCC(C(C)(C)C)CC4)ccc3n2)COC(=O)N1

HCID67411177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f44fd5b1071a4affa30a09959678e8c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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