HRID1219080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75200

Cyclohexanebutanoic acid

C10H18O2

HCID59759449

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNC(=O)CCCC2CCCCC2)cs1

HCID67398876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91910317abcd4157892d3337b00febdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH2:18])[n:15]1)=[O:19].[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:20]1([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[OH:31])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[OH2:58].[OH:43][c:44]1[c:45]2[n:46][n:47][nH:48][c:49]2[cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][C:29]([CH2:28][CH2:27][CH2:26][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)=[O:30])[n:15]1)=[O:19]