HRID802142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID18712662

1-Methylazetidin-3-amine

C4H10N2

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(C(C)(C)C(=O)O)c3)ccc1-2

HCID67050569

1H-Pyrazole-1-acetic acid, 4-[4,5-dihydro-2-[1-(1-methylethyl)-1H-1,2,4-triazol-5-yl][1]benzoxepino[5,4-d]thiazol-8-yl]-α,α-dimethyl-

C23H24N6O3S

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(C(C)(C)C(=O)NC4CN(C)C4)c3)ccc1-2

HCID58204087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bf4010bf169422c9bee4bb0aa08e900
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:59]([Cl:60])[Cl:61].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:46][N:47]1[CH2:48][CH:49]([NH2:51])[CH2:50]1.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Cl-:45].[Cl:34][C:35]([C:36]([Cl:37])=[O:38])=[O:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([C:28]([C:29](=[O:30])[NH:51][CH:49]4[CH2:48][N:47]([CH3:46])[CH2:50]4)([CH3:32])[CH3:33])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2