HRID166108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11229529

1-Chloroethyl Cyclohexyl Carbonate

C9H15ClO3

结构：CC(OCC(O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(=O)O)cc1

HCID23111647

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)OC1CCCCC1)OC(=O)c1ccc(-c2ccccc2C(C)OCC(O)CNC(C)(C)Cc2ccc3ccccc3c2)cc1

HCID23111626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c272726fa3ef40b1b748a166a3c91fe9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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