HRID179869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2736229

1-(2-dimethylaminoethyl)piperazine

C8H19N3

HCID86647116

未命名化合物

PRODUCTS

产物

HCID178466900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-30c06a0084ab4498a9f709b5e65c8850
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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:31]([NH2:32])=[O:33])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([F:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)(=[O:4])=[O:5].[CH3:34][N:35]([CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1)[CH3:44].[Cl:45][CH2:46][Cl:47]>>[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:31]([NH2:32])=[O:33])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([F:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)[N:41]1[CH2:40][CH2:39][N:38]([CH2:37][CH2:36][N:35]([CH3:34])[CH3:44])[CH2:43][CH2:42]1