HRID1129970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID602

DL-Alanine

C3H7NO2

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID175542

未命名化合物

结构：CC(C)(OS(=O)(=O)[O-])S(=O)(=O)Oc1ccc(O)cc1

HCID86745786

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)NC(C)C(=O)O

HCID178442870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0cacdd50462484fb90dae2b52a0ae93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:20]([CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])(=[O:42])[OH:43].[CH2:65]([N:66]([CH2:67][CH3:68])[CH2:69][CH3:70])[CH3:71].[CH3:72][C:73]#[N:74].[CH:44]1([N:45]=[C:46]=[N:47][CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[NH2:59][CH:60]([CH3:61])[C:62](=[O:63])[OH:64].[OH2:75].[S:1]([O-:2])([O:3][C:4]([CH3:5])([CH3:6])[S:7]([O:8][c:9]1[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]1)(=[O:16])=[O:17])(=[O:18])=[O:19]>>[C:20]([CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])(=[O:43])[NH:59][CH:60]([CH3:61])[C:62](=[O:63])[OH:64]