HRID144110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID7582

Dicyclohexylamine

C12H23N

HCID8058

n-Hexane

C6H14

结构：CC(CSC(=O)c1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)O

HCID13092084

未命名化合物

PRODUCTS

生成物

HCID7582

Dicyclohexylamine

C12H23N

HCID12942866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f39aa80f31104c1faf9cfc453ad5df6c
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:14](=[O:15])([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[S:22][CH2:23][CH:24]([C:25](=[O:26])[N:27]1[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[CH2:35][CH:36]1[C:37](=[O:38])[OH:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:48][OH:49].[CH:1]1([NH:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH3:47]>>[CH:1]1([NH:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[SH:22][CH2:23][CH:24]([C:25](=[O:26])[N:27]1[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[CH2:35][CH:36]1[C:37](=[O:38])[OH:39])[CH3:40]