HRID2162864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

反应SMILES：CC(C)(C)C(=O)CN1C(=O)C(N)CN(c2ccccc2)c2ccccc21

HCID21201665

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC1CN(c2ccccc2)c2ccccc2N(CC(=O)C(C)(C)C)C1=O

HCID21201547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2257483759394da4aef22b1628506d61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:26])[CH:10]([NH2:25])[CH2:11][N:12]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2.[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH:35]([CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[C:43](=[O:44])[OH:45].[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[CH:68]([N:69]([CH3:70])[CH3:71])=[O:72].[ClH:56].[OH2:79].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:26])[CH:10]([NH:25][C:43]([CH:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:44])[CH2:11][N:12]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2