HRID1144162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID573612

(1-Methyl-1H-imidazol-2-yl)methanol

C5H8N2O

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)NC(=O)N2c1ccccc1Cl

HCID18401685

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1CN1C(=O)N(c2ccccc2Cl)C2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1=O

HCID86584187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-947f3ef94bf241f88dcb07c207cbed6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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