HRID145804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1c(-c2ccccc2)c(F)c2oc(N3CCN(C)C(=O)C3)nc2c1C#N

HCID68584561

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(N3CCN(C)C(=O)C3)nc2c1C#N

HCID77526536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceb4da3fed0345649240db5d02bb17e2
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

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