HRID296843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID813

Potassium cation

K+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7965

Cyclohexylamine

C6H13N

HCID19660

Carbonate

CO3-2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CC(C)n1cc2c3c(cccc31)C1CC(C(=O)O)CN(C)C1C2

HCID9926796

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cc2c3c(cccc31)C1CC(C(=O)NC3CCCCC3)CN(C)C1C2

HCID21982952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f84cd1869214679b8615a0b7ac0953c
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:24](=[O:25])([O-:26])[O-:27].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]2[c:19]3[c:14]([cH:15][cH:16][cH:17][c:18]13)[CH:13]1[CH:8]([CH2:7]2)[N:9]([CH3:23])[CH2:10][CH:11]([C:20](=[O:21])[OH:22])[CH2:12]1.[Cl:30][C:31]([O:32][CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37].[K+:28].[K+:29].[NH2:38][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[NH4+:45].[OH-:46].[OH2:47]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]2[c:19]3[c:14]([cH:15][cH:16][cH:17][c:18]13)[CH:13]1[CH:8]([CH2:7]2)[N:9]([CH3:23])[CH2:10][CH:11]([C:20](=[O:21])[NH:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:12]1