HRID2341296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

2 次

HCID1099

Sulfite

O3S-2

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57440381

未命名化合物

HCID57440420

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2cc(NC(=O)c3ccc(N4CCNC(C)(C)C4)cc3)[nH]n2)cc(OC)c1

HCID66590055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-905499ad16364a5a8f16f4d8e8962aa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:24][O:25][c:26]1[cH:27][c:28]([CH2:34][O:35][c:36]2[cH:37][c:38]([NH2:41])[nH:39][n:40]2)[cH:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][C:56](=[O:57])[CH3:58].[CH3:5][C:6]1([CH3:23])[CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([C:16]([O:18][CH2:17][CH3:19])=[O:20])[cH:21][cH:22]2)[CH2:9][CH2:10][NH:11]1.[Na+:46].[Na+:47].[S:42]([O-:43])([O-:44])=[O:45]>>[CH3:5][C:6]1([CH3:23])[CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([C:16](=[O:18])[NH:41][c:38]3[cH:37][c:36]([O:35][CH2:34][c:28]4[cH:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[cH:29]4)[n:40][nH:39]3)[cH:21][cH:22]2)[CH2:9][CH2:10][NH:11]1