HRID681282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

结构：CC1Cc2nnc(-c3cccc(C(F)(F)F)c3)cc2C(O)C1

HCID9972528

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2nnc(-c3cccc(C(F)(F)F)c3)cc2C(OC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C1

HCID178422370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf1558e1a16944f6850f4e982b5e25a5
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:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][CH:48]([CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[C:56](=[O:57])[OH:58].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:59][CH2:60][OH:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:6][CH:7]1[CH2:8][CH:9]([OH:27])[c:10]2[cH:11][c:12](-[c:17]3[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]3)[n:13][n:14][c:15]2[CH2:16]1.[ClH:28]>>[CH3:6][CH:7]1[CH2:8][CH:9]([O:27][C:56]([CH:48]([NH:47][C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:46])[CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)=[O:57])[c:10]2[cH:11][c:12](-[c:17]3[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]3)[n:13][n:14][c:15]2[CH2:16]1