HRID172783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：Cc1c(Br)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12

HCID11372127

未命名化合物

HCID22329833

5-(4-Methylpiperazin-1-yl)pyridin-2-amine

C10H16N4

PRODUCTS

生成物

结构：Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc12

HCID5330290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffbe7d474c234bd9a414e008c4987331
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

[Br:1][c:2]1[c:3]([CH3:21])[c:4]2[c:5]([n:6][c:7]([S:10]([CH3:11])=[O:12])[n:8][cH:9]2)[n:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[c:14]1=[O:15].[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([c:29]2[cH:30][cH:31][c:32]([NH2:35])[n:33][cH:34]2)[CH2:27][CH2:28]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Br:1][c:2]1[c:3]([CH3:21])[c:4]2[c:5]([n:6][c:7]([NH:35][c:32]3[cH:31][cH:30][c:29]([N:26]4[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]4)[cH:34][n:33]3)[n:8][cH:9]2)[n:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[c:14]1=[O:15]