HRID204539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID1810581

2-(Benzyloxy)benzoic acid

C14H12O3

HCID3788223

Serine, phenylmethyl ester

C10H13NO3

PRODUCTS

生成物

结构：O=C(NC(CO)C(=O)OCc1ccccc1)c1ccccc1OCc1ccccc1

HCID22455986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57e0c66af6b4fb8b8e69a2927a71144
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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