HRID2130314

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：CCOC(=O)C1CCN(c2nc3c(C#N)c(C)c(-c4ccccc4)c(F)c3o2)CC1

HCID68584803

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2nc3c(C#N)c(C)c(-c4ccccc4)c(N4CCC(N(C)C)C4)c3o2)CC1

HCID77526407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ee4cdcbc6994521a94159689e2145ec
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

[C:1](#[N:2])[c:3]1[c:4]([CH3:30])[c:5](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:6]([F:23])[c:7]2[c:8]1[n:9][c:10]([N:12]1[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:16][CH2:17]1)[o:11]2.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][N:39]([CH:40]1[CH2:41][NH:42][CH2:43][CH2:44]1)[CH3:45].[CH3:46][S:47](=[O:48])[CH3:49]>>[C:1](#[N:2])[c:3]1[c:4]([CH3:30])[c:5](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:6]([N:42]2[CH2:41][CH:40]([N:39]([CH3:38])[CH3:45])[CH2:44][CH2:43]2)[c:7]2[c:8]1[n:9][c:10]([N:12]1[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:16][CH2:17]1)[o:11]2