HRID292401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID66284

1-Heptanol, 7-bromo-

C7H15BrO

HCID4574913

未命名化合物

结构：O=C(Nc1ccn(Cc2ccc(O)cc2Cl)n1)c1c(F)cccc1F

HCID59547950

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccn(Cc2ccc(OCCCCCCCO)cc2Cl)n1)c1c(F)cccc1F

HCID59547851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b385817feee4d5885c5c1ed6d4c31c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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