HRID186152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8006

1-Bromo-3-chloropropane

C3H6BrCl

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

结构：Cc1cc(O)ccc1Cc1c(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)n[nH]c1C(C)C

HCID178428977

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCCCCl)ccc1Cc1c(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)n[nH]c1C(C)C

HCID178429027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-461d7c4080424169b8f7caa6a580d620
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br-:62].[Br:54][CH2:55][CH2:56][CH2:57][Cl:58].[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[ClH:61].[Na+:60].[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[OH-:59].[OH:1][c:2]1[cH:3][c:4]([CH3:53])[c:5]([CH2:8][c:9]2[c:10]([O:17][CH:18]3[CH:19]([O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH:27]([O:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH:35]([O:36][C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH:43]([CH2:45][O:46][C:47]([C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[O:44]3)[n:11][nH:12][c:13]2[CH:14]([CH3:15])[CH3:16])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][c:4]([CH3:53])[c:5]([CH2:8][c:9]2[c:10]([O:17][CH:18]3[CH:19]([O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH:27]([O:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH:35]([O:36][C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH:43]([CH2:45][O:46][C:47]([C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[O:44]3)[n:11][nH:12][c:13]2[CH:14]([CH3:15])[CH3:16])[cH:6][cH:7]1)[CH2:55][CH2:56][CH2:57][Cl:58]