HRID2333743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

HCID57440414

1,1-Dimethylethyl 4-[5-(methoxycarbonyl)-2-thienyl]-1-piperazinecarboxylate

C15H22N2O4S

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)[nH]n2)cc(OC)c1

HCID178489779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-310544e67a884519a2ed6bc7373c15d2
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].[CH3:27][O:28][c:29]1[cH:30][c:31]([CH2:37][CH2:38][c:39]2[cH:40][c:41]([NH2:44])[nH:42][n:43]2)[cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][C:53](=[O:54])[CH3:55].[CH3:5][O:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[s:13]1>>[C:7](=[O:8])([c:9]1[cH:10][cH:11][c:12]([N:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[s:13]1)[NH:44][c:41]1[cH:40][c:39]([CH2:38][CH2:37][c:31]2[cH:30][c:29]([O:28][CH3:27])[cH:34][c:33]([O:35][CH3:36])[cH:32]2)[n:43][nH:42]1