HRID933382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID542420

未命名化合物

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

HCID69711055

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNNC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178449892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49d8faa3f30f483d833b2c3bbfd5adb2
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH:23]([CH3:24])[CH3:25].[C:78]([O:79][CH3:80])([CH3:81])([CH3:82])[CH3:83].[CH2:59]([CH:60]([CH3:61])[CH3:62])[NH:63][NH2:64].[CH3:65][N:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[ClH:77].[OH2:26].[OH:27][c:28]1[c:29]2[n:30][n:31][nH:32][c:33]2[cH:34][cH:35][cH:36]1.[OH:37][S:38]([c:39]1[cH:40][cH:41][c:42]([CH3:43])[cH:44][cH:45]1)(=[O:46])=[O:47].[OH:48][S:49]([c:50]1[cH:51][cH:52][c:53]([CH3:54])[cH:55][cH:56]1)(=[O:57])=[O:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[NH:64][NH:63][CH2:59][CH:60]([CH3:61])[CH3:62])[CH2:22][CH:23]([CH3:24])[CH3:25]