HRID1202638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID3435097

Triisopropylsilanethiol

C9H22SSi

HCID22287253

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)[Si](Sc1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)(C(C)C)C(C)C

HCID22287265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cd3f077d7d2459987afae9e14af9998
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:1]([CH3:2])([CH3:3])[Si:4]([SH:5])([CH:6]([CH3:7])[CH3:8])[CH:9]([CH3:10])[CH3:11].[Cl:14][c:15]1[c:16]([NH:22][C:23]([C:24]([C:25]([F:26])([F:27])[F:28])([CH3:29])[OH:30])=[O:31])[cH:17][cH:18][c:19]([I:21])[cH:20]1.[H-:12].[Na+:13].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH:1]([CH3:2])([CH3:3])[Si:4]([S:5][c:19]1[cH:18][cH:17][c:16]([NH:22][C:23]([C:24]([C:25]([F:26])([F:27])[F:28])([CH3:29])[OH:30])=[O:31])[c:15]([Cl:14])[cH:20]1)([CH:6]([CH3:7])[CH3:8])[CH:9]([CH3:10])[CH3:11]