HRID140873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID4742004

1-Cyclopropylpiperazine

C7H14N2

结构：CC(Oc1cc(-n2cnc3cnc(COS(C)(=O)=O)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID86647104

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-n2cnc3cnc(CN4CCN(C5CC5)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID178466896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57d6bc4144d427ea1ab705c68de8304
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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