HRID297071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22992323

1-Amino-2-phenylpentan-2-ol

C11H17NO

结构：CN(Cc1ccc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)nc1)C(=O)OC(C)(C)C

HCID59200460

未命名化合物

PRODUCTS

生成物

结构：CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccc(CN(C)C(=O)OC(C)(C)C)cn3)s2)c1F)c1ccccc1

HCID59200485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d87cac1cd9ad4b499baa771f6d20486e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][c:18]2[s:19][c:20]([S:23][c:24]3[c:25]([F:33])[c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]3)[cH:21][n:22]2)[n:15][cH:16]1.[CH3:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH2:63][CH2:64][N:65]([CH3:66])[CH3:67].[CH3:77][N:78]1[CH2:79][CH2:80][CH2:81][C:82]1=[O:83].[CH:68]([N:69]([CH:70]([CH3:71])[CH3:72])[CH2:73][CH3:74])([CH3:75])[CH3:76].[NH2:34][CH2:35][C:36]([CH2:37][CH2:38][CH3:39])([OH:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][c:18]2[s:19][c:20]([S:23][c:24]3[c:25]([F:33])[c:26]([C:30](=[O:32])[NH:34][CH2:35][C:36]([CH2:37][CH2:38][CH3:39])([OH:40])[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[n:27][cH:28][cH:29]3)[cH:21][n:22]2)[n:15][cH:16]1