HRID1135121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID239

beta-Alanine

C3H7NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CCCNC(=O)c1ccc(C)c(-c2nc(S(C)(=O)=O)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID59207990

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(C)c(-c2nc(NCCC(=O)O)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID59208077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b755609e985450f833196e4d25c279a
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

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