HRID691852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID99767

未命名化合物

HCID14540322

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cscn1)C(=O)N1CCCC1C(=O)OCc1ccccc1

HCID178453342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b8af483839a4cfb85207c9332bd893a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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