HRID98189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID117295

1-Ethylpyrrolidin-2-ylmethylamine

C7H16N2

结构：CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)O)c1)CC2

HCID18005107

未命名化合物

PRODUCTS

生成物

结构：CCN1CCCC1CNC(=O)c1cccc(NC(=O)N2CCc3cc(SC)c(C(F)(F)F)cc32)c1

HCID21833110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ff3896915554d04ba56c8705d85d313
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:41]([CH3:42])[N:43]1[CH:44]([CH2:48][NH2:49])[CH2:45][CH2:46][CH2:47]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][S:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[C:12]([F:13])([F:14])[F:15])[N:8]([C:16]([NH:17][c:18]1[cH:19][c:20]([C:24](=[O:25])[OH:26])[cH:21][cH:22][cH:23]1)=[O:27])[CH2:7][CH2:6]2.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:28][C:29]([C:30]([Cl:31])=[O:32])=[O:33].[Cl:50][CH2:51][Cl:52].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[CH3:1][S:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][c:11]1[C:12]([F:13])([F:14])[F:15])[N:8]([C:16]([NH:17][c:18]1[cH:19][c:20]([C:24](=[O:25])[NH:49][CH2:48][CH:44]3[N:43]([CH2:41][CH3:42])[CH2:47][CH2:46][CH2:45]3)[cH:21][cH:22][cH:23]1)=[O:27])[CH2:7][CH2:6]2