HRID1535508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID3776

Isopropanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID2733959

4-(Methylthio)phenylboronic acid

C7H9BO2S

结构：CC(CCOc1c(Br)cnn(-c2ccc(F)c(F)c2)c1=O)O[Si](C)(C)C(C)(C)C

HCID21933957

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2OCCC(C)O[Si](C)(C)C(C)(C)C)cc1

HCID21934126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b29e4f2510c14f00a6adc149fb8c779e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:30][S:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH:49]([OH:50])([CH3:51])[CH3:52].[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12]([Br:29])[c:13]([O:16][CH2:17][CH2:18][CH:19]([CH3:20])[O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8].[K+:46].[K+:47].[K+:48].[OH2:94].[P:41]([O-:42])([O-:43])([O-:44])=[O:45].[Pd:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:35]3[cH:34][cH:33][c:32]([S:31][CH3:30])[cH:37][cH:36]3)[c:13]([O:16][CH2:17][CH2:18][CH:19]([CH3:20])[O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8]