HRID2151056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

结构：CCOC(C)OC(C)(C)C(F)CCC(COS(=O)(=O)c1ccc(C)cc1)C1CCC2C3CC=C4CC(OC5CCCCO5)CC(OC5CCCCO5)C4(C)C3CCC12C

HCID178468015

未命名化合物

PRODUCTS

生成物

结构：CCOC(C)OC(C)(C)C(F)CCC(CI)C1CCC2C3CC=C4CC(OC5CCCCO5)CC(OC5CCCCO5)C4(C)C3CCC12C

HCID178468013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-942fae70ec8b4b0abecb2d768dd013ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:63]([Cl:64])[Cl:65].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]([CH2:14][CH2:15][CH:16]([C:17]([CH3:18])([CH3:19])[O:20][CH:21]([CH3:22])[O:23][CH2:24][CH3:25])[F:26])[CH:27]2[CH2:28][CH2:29][CH:30]3[CH:31]4[CH2:32][CH:33]=[C:34]5[CH2:35][CH:36]([O:53][CH:54]6[O:55][CH2:56][CH2:57][CH2:58][CH2:59]6)[CH2:37][CH:38]([O:46][CH:47]6[O:48][CH2:49][CH2:50][CH2:51][CH2:52]6)[C:39]5([CH3:40])[CH:41]4[CH2:42][CH2:43][C:44]23[CH3:45])(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:66][C:67](=[O:68])[CH3:69].[I-:61].[Na+:60].[OH2:62]>>[CH2:12]([CH:13]([CH2:14][CH2:15][CH:16]([C:17]([CH3:18])([CH3:19])[O:20][CH:21]([CH3:22])[O:23][CH2:24][CH3:25])[F:26])[CH:27]1[CH2:28][CH2:29][CH:30]2[CH:31]3[CH2:32][CH:33]=[C:34]4[CH2:35][CH:36]([O:53][CH:54]5[O:55][CH2:56][CH2:57][CH2:58][CH2:59]5)[CH2:37][CH:38]([O:46][CH:47]5[O:48][CH2:49][CH2:50][CH2:51][CH2:52]5)[C:39]4([CH3:40])[CH:41]3[CH2:42][CH2:43][C:44]12[CH3:45])[I:61]