HRID1145098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

结构：COc1c(C)c2c(c(OCOC(C)OC)c1CC=C(C)CBr)C(=O)OC2

HCID67019129

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(N)CC(C)=CCc1c(OC)c(C)c2c(c1OCOC(C)OC)C(=O)OC2

HCID178472712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2305f3fbb6147dcb8a9820f7d1d67ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:13][O:14][c:15]1[c:16]([CH2:33][CH:34]=[C:35]([CH2:36][Br:37])[CH3:38])[c:17]([O:26][CH2:27][O:28][CH:29]([CH3:30])[O:31][CH3:32])[c:18]2[c:22]([c:23]1[CH3:24])[CH2:21][O:20][C:19]2=[O:25].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH3:52][N:53]([CH3:54])[P:55]([N:56]([CH3:57])[CH3:58])([N:59]([CH3:60])[CH3:61])=[O:62].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:4][CH:2]([CH3:3])[CH3:5])([CH3:6])[CH3:7].[Cl-:39].[NH4+:40]>>[NH2:4][CH:45]([CH2:36][C:35](=[CH:34][CH2:33][c:16]1[c:15]([O:14][CH3:13])[c:23]([CH3:24])[c:22]2[c:18]([c:17]1[O:26][CH2:27][O:28][CH:29]([CH3:30])[O:31][CH3:32])[C:19](=[O:25])[O:20][CH2:21]2)[CH3:38])[C:44]([O:43][CH2:42][CH3:41])=[O:46]