HRID93461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14664186

2,2-Dimethylpiperazine

C6H14N2

结构：Nc1ncc(-c2nc(N3CCOCC3)c3nc(Cl)n(CC(F)(F)F)c3n2)cn1

HCID59333534

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC(F)(F)F)CCN1

HCID59333597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67c759afbcbb4fc0bbe94fa56773a2c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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