HRID157169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID11503

N-Methylphenethylamine

C9H13N

HCID15908

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

C8H17N3

HCID61778

Bisulfate anion

HO4S-

结构：CN(C(=O)OC(C)(C)C)C(Cc1ccc2ccccc2c1)C(=O)O

HCID22326972

未命名化合物

HCID178516469

未命名化合物

PRODUCTS

生成物

结构：CN(CCc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C

HCID178483179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdbe1f3aef3047d2a3e0ab2aeba562d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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