HRID146242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7464

Cumidine

C9H13N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CC(C)(C)OC(=O)NC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1

HCID23102716

1-[(Benzyloxy)carbonyl]-4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylic acid

C19H26N2O6

PRODUCTS

生成物

结构：CC(C)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(C(=O)OCc3ccccc3)CC2)cc1

HCID66921386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f11d4ab0dd246b6ae26b6f32933c7ae
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

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