HRID1214840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID10931982

benzyl vinylcarbamate

C10H11NO2

结构：CCC(Nc1ccc(C(F)(F)F)cc1)n1nnc2ccccc21

HCID18357713

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NC(=O)OCc2ccccc2)c2cc(C(F)(F)F)ccc2N1

HCID57239182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6549271ad4f4f77b5a73e65d6b7dc5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]=[CH2:12])=[O:13].[CH3:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[OH2:44].[c:45]1([CH3:46])[cH:47][cH:48][c:49]([S:50]([OH:51])(=[O:52])=[O:53])[cH:54][cH:55]1.[n:21]1([CH:30]([CH2:31][CH3:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:30]([CH2:31][CH3:32])[NH:33][c:34]2[c:35]1[cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]2)=[O:13]