HRID2332373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID58962923

未命名化合物

结构：CSC(=NC(=O)OC(C)(C)C)NC(=O)C1CCCN1c1ccc(C(F)(F)F)cc1

HCID69206325

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)Nc1c(Cl)cc(CNC(=NC(=O)OC(C)(C)C)NC(=O)C2CCCN2c2ccc(C(F)(F)F)cc2)cc1Cl

HCID178483943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ec4733f1ab44e0ab74661ef289d016e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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