HRID1223812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：O=C(Cl)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

HCID22293221

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCC(c2cccc(F)c2F)CNC1=S

HCID178452676

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC(c2cccc(F)c2F)CNC1=S)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

HCID72259071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b5b0abd3dfd4bab9c0d9db2fe6e95d2
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

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