HRID155486

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

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

HCID19353678

N-(Cyclopropylmethyl)-2-methoxyethan-1-amine

C7H15NO

PRODUCTS

生成物

结构：COCCN(CC1CC1)C(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)c(=O)n2ccc3c(ncn3C)c12

HCID56611375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-765c038555f847a49aee629aebc01e1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH:42]1([CH2:45][NH:46][CH2:47][CH2:48][O:49][CH3:50])[CH2:43][CH2:44]1.[Cl:58][CH2:59][Cl:60].[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][CH:42]3[CH2:43][CH2:44]3)[CH2:47][CH2:48][O:49][CH3:50])[cH:24]2)[n:28][cH:29][n:30]4[CH3:31])[cH:13][cH:14]1