HRID680338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID23938

Palladium

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID100081

N-(Benzyloxycarbonyl)-DL-phenylalanine

C17H17NO4

结构：O=C(NC(CO)Cc1c[nH]c2ccccc12)OCc1ccccc1

HCID12338836

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccccc1)C(=O)NC(CO)Cc1c[nH]c2ccccc12)OCc1ccccc1

HCID178523188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c6096d723be495d88c793d08c392c15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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