HRID170209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

2 次

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

2 次

结构：CC(C)(C)OC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

HCID53416583

Benzyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}[(4-chlorophenyl)methyl]carbamoyl)piperazine-1-carboxylate

C27H35ClN4O5

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)N1CCNCC1

HCID67135341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6612fa9ca7c461d90b9554cbc5888e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:29])[CH2:18][CH2:19]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1.[CH3:40][OH:41].[CH3:45][OH:46].[K+:39].[K+:44].[OH-:38].[OH-:43].[OH2:42].[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1