HRID172217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID441

3-Hydroxybutyric acid

C4H8O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)Cn1c(N2CCNC(C)C2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21

HCID72257621

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(N2CCN(C(=O)CC(C)O)C(C)C2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21

HCID178448608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0b41799ad414430888b989baf46ea87
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]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]2[n:7][c:8](-[c:27]3[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]3)[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]2[n:12][c:13]1[N:14]1[CH2:15][CH:16]([CH3:20])[NH:17][CH2:18][CH2:19]1.[CH3:59][CH:60]([OH:61])[CH2:62][C:63]([OH:64])=[O:65].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:34]1([N:35]=[C:36]=[N:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]2[n:7][c:8](-[c:27]3[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]3)[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]2[n:12][c:13]1[N:14]1[CH2:15][CH:16]([CH3:20])[N:17]([C:63]([CH2:62][CH:60]([CH3:59])[OH:61])=[O:64])[CH2:18][CH2:19]1