HRID187617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID14887243

未命名化合物

结构：CC(C)(C)OC(=O)NC1CC(C(N)=O)N(C(C)(C)C)C1

HCID178452800

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CC(C(=O)NCC(O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)N(C(C)(C)C)C1

HCID178452808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdfa5844d3dd472fa64cf1ecfaadfd10
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH:11]([C:18](=[O:19])[NH2:20])[N:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:13]1.[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][C:29](=[O:30])[NH:31][CH:32]([CH:33]1[CH2:34][O:35]1)[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][OH:44].[CH3:45][CH2:46][OH:47].[Cl:48][CH2:49][Cl:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH:11]([C:18](=[O:19])[NH:20][CH2:34][CH:33]([CH:32]([NH:31][C:29]([O:28][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:30])[CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[OH:35])[N:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:13]1