HRID305225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID84352

N-Ethylbenzylamine

C9H13N

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CO)C(C)C)ccc1OC

HCID68616939

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccccc1)C(=O)OCC1CN(C(=O)OC(C)(C)C)CC1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C

HCID178463688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-072b0102048046678427889f7e457670
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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