HRID206088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8082

Piperidine

C5H11N

HCID12088

4-Carboxybenzaldehyde

C8H6O3

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(NCC(O)C(=O)O)OCC1c2ccccc2-c2ccccc21

HCID15222583

3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-hydroxypropanoic acid

C18H17NO5

PRODUCTS

生成物

HCID22311094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5952f7b1535f439fab85ea30992bdca0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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