HRID2154240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24386

Thionyl chloride

Cl2OS

HCID69828

Cyclopropanamine

C3H7N

结构：CN(CC1CC1)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3nncc3CO)c1)=N2

HCID18613173

7-(Cyclopropylmethyl-methyl-amino)-4-[3-(5-hydroxymethyl-[1,2,3]triazol-1-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

C24H23F3N6O2

PRODUCTS

生成物

结构：CN(CC1CC1)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3nncc3CNC3CC3)c1)=N2

HCID18613126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d94594665124254a124d89a5bfb0ed6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:1]1([CH2:4][N:5]([c:6]2[cH:7][c:8]3[c:9]([cH:29][c:30]2[C:31]([F:32])([F:33])[F:34])[NH:10][C:11](=[O:28])[CH2:12][C:13]([c:15]2[cH:16][c:17](-[n:21]4[n:22][n:23][cH:24][c:25]4[CH2:26][OH:27])[cH:18][cH:19][cH:20]2)=[N:14]3)[CH3:35])[CH2:2][CH2:3]1.[CH:40]1([NH2:43])[CH2:41][CH2:42]1.[S:36]([Cl:37])([Cl:38])=[O:39]>>[CH:1]1([CH2:4][N:5]([c:6]2[cH:7][c:8]3[c:9]([cH:29][c:30]2[C:31]([F:32])([F:33])[F:34])[NH:10][C:11](=[O:28])[CH2:12][C:13]([c:15]2[cH:16][c:17](-[n:21]4[n:22][n:23][cH:24][c:25]4[CH2:26][NH:43][CH:40]4[CH2:41][CH2:42]4)[cH:18][cH:19][cH:20]2)=[N:14]3)[CH3:35])[CH2:2][CH2:3]1