HRID95342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(OCc1ccc(C#N)c(Br)c1)C(F)(F)F

HCID59556376

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(OCc1ccc(C#N)c(C2CC2)c1)C(F)(F)F

HCID59556332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da012d4dbfc34b46923b612dd3d35eff
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

[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([CH2:10][O:11][CH:12]([C:13]([F:14])([F:15])[F:16])[c:17]2[c:18]([CH3:32])[n:19][c:20](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[s:21]2)[cH:9]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH:33]1([P:34]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH:46]2[CH2:37][CH2:36][CH2:35][CH2:50][CH2:51]2)[CH2:44][CH2:45][CH2:47][CH2:48][CH2:49]1.[CH:52]1([B:53]([OH:54])[OH:55])[CH2:56][CH2:57]1.[OH2:71]>>[c:2]1([CH:50]2[CH2:46][CH2:51]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([CH2:10][O:11][CH:12]([C:13]([F:14])([F:15])[F:16])[c:17]2[c:18]([CH3:32])[n:19][c:20](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[s:21]2)[cH:9]1