HRID1118575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66827

Boronic acid, phenyl-

C6H7BO2

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

HCID9882147

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

C11H8N2O5S

HCID18758980

未命名化合物

PRODUCTS

生成物

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

HCID9845335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9798c1a844ec459abe062909b320337d
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

[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[ClH:1].[ClH:2].[ClH:65].[N+:34]([c:35]1[cH:36][cH:37][c:38]([O:43][C:44](=[O:39])[O:46][CH2:47][c:48]2[cH:49][n:50][cH:51][s:52]2)[cH:40][cH:41]1)([O-:42])=[O:45].[NH2:3][CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH:12]([CH2:13][CH:14]([CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH2:22])[OH:23].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:33].[OH:24][B:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[OH:32]>>[NH:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH:12]([CH2:13][CH:14]([CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH2:22])[OH:23])[C:44](=[O:43])[O:46][CH2:47][c:48]1[cH:49][n:50][cH:51][s:52]1