HRID311302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

HCID102533

DL-Phenylalanine benzyl ester

C16H17NO2

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)F)cc1)NC(Cc1ccccc1)C(=O)OCc1ccccc1

HCID178522058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-634157cf6e7f42d28577d85ebb1a19fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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