HRID1220131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(OCc1cncs1)Oc1ccc([N+](=O)[O-])cc1

HCID9882147

4-Nitrophenyl (1,3-thiazol-5-yl)methyl carbonate

C11H8N2O5S

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)CC(O)C(N)Cc1ccccc1

HCID18758861

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1

HCID18759043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42d037f772e34b7ea33229c59c17da76
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

[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[N+:29]([c:30]1[cH:31][cH:32][c:33]([O:38][C:39](=[O:34])[O:41][CH2:42][c:43]2[cH:44][n:45][cH:46][s:47]2)[cH:35][cH:36]1)([O-:37])=[O:40].[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]([CH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[OH:28].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]([CH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[OH:28])[C:39](=[O:38])[O:41][CH2:42][c:43]1[cH:44][n:45][cH:46][s:47]1