HRID2152736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9550

Diazomethane

CH2N2

HCID15635947

未命名化合物

HCID21501441

7-[Carbamoyl(4-hydroxynonyl)amino]heptanoic acid

C17H34N2O4

HCID53968207

7-[Carbamothioyl(4-hydroxynonyl)amino]heptanoic acid

C17H34N2O3S

PRODUCTS

生成物

结构：CCCCCCCCCCOC(=O)CCCCCCN(CCCC(O)CCCCC)C(N)=O

HCID53798252

Decyl 7-[carbamoyl(4-hydroxynonyl)amino]heptanoate

C27H54N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-114986b72ab4418abaca5b83f6b80c3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[N+:13](=[CH2:14])=[N-:15].[N+:1](=[N-:2])=[CH:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].[OH:16][CH:17]([CH2:18][CH2:19][CH2:20][N:21]([C:22](=[O:23])[NH2:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[OH:39][CH:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][N:49]([CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][C:56]([OH:57])=[O:58])[C:59]([NH2:60])=[S:61]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[O:33][C:31]([CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][N:21]([CH2:20][CH2:19][CH2:18][CH:17]([OH:16])[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[C:22](=[O:23])[NH2:24])=[O:32]