HRID667449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID1581105

未命名化合物

结构：Cn1cnc2c1ccn1c(=O)c(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c21

HCID19353611

8-(4-Benzyloxy-phenyl)-3-methyl-7-oxo-3,7-dihydro-imidazo[4,5-a]quinolizine-10-carboxylic acid

C25H19N3O4

PRODUCTS

生成物

结构：COCCN(C(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)c(=O)n2ccc3c(ncn3C)c12)c1ccccc1

HCID56621606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e209b4fb0a24dc0bea8dfd4c0ae1a95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[c:16](=[O:32])[n:17]3[cH:18][cH:19][c:20]4[c:21]([c:22]3[c:23]([C:25](=[O:26])[OH:27])[cH:24]2)[n:28][cH:29][n:30]4[CH3:31])[cH:13][cH:14]1.[CH3:42][O:43][CH2:44][CH2:45][NH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl:60][CH2:61][Cl:62].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[S:33]([Cl:34])([Cl:35])=[O:36]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[c:16](=[O:32])[n:17]3[cH:18][cH:19][c:20]4[c:21]([c:22]3[c:23]([C:25](=[O:26])[N:46]([CH2:45][CH2:44][O:43][CH3:42])[c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[cH:24]2)[n:28][cH:29][n:30]4[CH3:31])[cH:13][cH:14]1