HRID183659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID5462224

Magnesium

HCID44181768

未命名化合物

反应SMILES：COCCCOc1cc(C2C(C(C)C)CC(C=O)N2C(=O)OC(C)(C)C)ccc1OC

HCID73173825

未命名化合物

PRODUCTS

产物

反应SMILES：COCCCOc1cc(C2C(C(C)C)CC(C(O)CC(COCc3ccccc3)C(C)C)N2C(=O)OC(C)(C)C)ccc1OC

HCID178495322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ec2b82a6844c488898cdcb021ec43954
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:32][CH2:33][CH:34]([CH2:35][O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]([CH3:45])[CH3:46].[Br:48][CH2:49][CH2:50][Br:51].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:18]2[cH:19][c:20]([O:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH:10]([CH:15]([CH3:16])[CH3:17])[CH2:11][CH:12]1[CH:13]=[O:14].[C:64]([O:65][CH3:66])([CH3:67])([CH3:68])[CH3:69].[CH2:59]([O:60][CH2:61][CH3:62])[CH3:63].[Cl-:52].[Mg:47].[NH4+:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:18]2[cH:19][c:20]([O:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH:10]([CH:15]([CH3:16])[CH3:17])[CH2:11][CH:12]1[CH:13]([OH:14])[CH2:33][CH:34]([CH2:35][O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]([CH3:45])[CH3:46]