HRID177073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID593814

3,4,5-Trifluorobenzonitrile

C7H2F3N

HCID3280088

未命名化合物

结构：CC(C)(Oc1ccc(-c2nnn[nH]2)cc1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID178458272

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Oc1c(F)cc(C#N)cc1F)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98c0d1a69d914dc2bdf797a7569968ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:52][Si:53]([N-:54][Si:55]([CH3:56])([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([C:14]([CH3:15])([O:16][c:17]2[cH:18][cH:19][c:20](-[c:21]4[nH:22][n:23][n:24][n:25]4)[cH:26][cH:27]2)[CH3:28])[CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]3)[cH:6][cH:7]1.[F:41][c:42]1[cH:43][c:44]([C:45]#[N:46])[cH:47][c:48]([F:51])[c:49]1[F:50].[K+:61].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([C:14]([CH3:15])([O:16][c:49]2[c:42]([F:41])[cH:43][c:44]([C:45]#[N:46])[cH:47][c:48]2[F:51])[CH3:28])[CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:35][c:36]([F:40])[c:37]([F:39])[cH:38]3)[cH:6][cH:7]1