HRID1217385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID21642

1-Bromopinacolone

C6H11BrO

HCID30165

Iodide ion

I-

结构：CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1

HCID9949612

未命名化合物

PRODUCTS

生成物

结构：CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(=O)C(C)(C)C)CC3)c2n1

HCID22313273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b0a115098c14f8d90376e72b33a2430
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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