HRID2153827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78328

1-Piperazinepropanamine, 4-methyl-

C8H19N3

结构：NC(=O)c1c(OCc2c(F)cc(Br)c(F)c2F)nsc1NC(=O)Oc1ccccc1

HCID86588929

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCCNC(=O)Nc2snc(OCc3c(F)cc(Br)c(F)c3F)c2C(N)=O)CC1

HCID10076619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-923707d66c494524b6c7ec71448c3145
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:31][N:32]1[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][CH2:40][NH2:41])[CH2:36][CH2:37]1.[c:1]1([O:7][C:8](=[O:2])[NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([Br:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)[cH:3][cH:4][cH:5][cH:6][cH:30]1>>[O:7]=[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([Br:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)[NH:41][CH2:40][CH2:39][CH2:38][N:35]1[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]1