HRID113533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID818882

5-Formyl-2-thiophenecarboxylic Acid

C6H4O3S

结构：Cc1cc2c(cc1C(F)(F)F)NCCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

HCID72297395

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1C(F)(F)F)N(Cc1ccc(C(=O)O)s1)CCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

HCID73066441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3e6b9d35cad4df4b1ed09ea8f261069
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

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