HRID122860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：COCCOCN(c1c(I)c(OCCOC(C)=O)nn1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID22281895

未命名化合物

PRODUCTS

生成物

结构：COCCOCN(c1c(-c2ccc(C(F)(F)F)cc2)c(OCCOC(C)=O)nn1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID22281950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-659b483911c84571a24b889bb0609e2e
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])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:34])[c:11]([N:14]([CH2:15][O:16][CH2:17][CH2:18][O:19][CH3:20])[S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:28][cH:29]2)[c:12]1[I:13].[C:38](=[O:39])([O-:40])[O-:41].[CH3:35][CH2:36][OH:37].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cs+:42].[Cs+:43].[F:44][C:45]([c:46]1[cH:47][cH:48][c:49]([B:52]([OH:53])[OH:54])[cH:50][cH:51]1)([F:55])[F:56].[OH2:64]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:34])[c:11]([N:14]([CH2:15][O:16][CH2:17][CH2:18][O:19][CH3:20])[S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:28][cH:29]2)[c:12]1-[c:49]1[cH:48][cH:47][c:46]([C:45]([F:44])([F:55])[F:56])[cH:51][cH:50]1