HRID86504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8056

1,4-Dibromobutane

C4H8Br2

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N)cc2n1Cc1ccccn1

HCID59762386

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3)cc2n1Cc1ccccn1

HCID59762314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2df12860bd12437a836c9a00d1e98b94
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

[Br:33][CH2:34][CH2:35][CH2:36][CH2:37][Br:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:7]([CH:18]([CH3:19])[CH3:20])[n:8]([CH2:11][c:12]3[n:13][cH:14][cH:15][cH:16][cH:17]3)[c:9]2[cH:10]1>>[N:1]1([c:2]2[cH:3][cH:4][c:5]3[c:6]([C:21](=[O:22])[NH:23][CH2:24][c:25]4[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]4)[c:7]([CH:18]([CH3:19])[CH3:20])[n:8]([CH2:11][c:12]4[n:13][cH:14][cH:15][cH:16][cH:17]4)[c:9]3[cH:10]2)[CH2:34][CH2:35][CH2:36][CH2:37]1