HRID209820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID74786

4-Pentenoic acid, ethyl ester

C7H12O2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(I)cc12

HCID54575087

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：CCOC(=O)CCCCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(C)S(C)(=O)=O

HCID58052319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003cb7302ece4b6ea4962b5fde0bd4ff
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

[C:1]([CH2:2][CH2:3][CH:4]=[CH2:5])(=[O:6])[O:7][CH2:8][CH3:9].[CH:10]12[CH2:11][CH2:12][CH2:13][CH:14]([BH:15]1)[CH2:16][CH2:17][CH2:18]2.[F:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[c:33]([C:48](=[O:49])[NH:50][CH3:51])[c:34]3[c:35]([n:36][c:37]([N:41]([S:42](=[O:43])(=[O:44])[CH3:45])[CH3:46])[c:38]([I:40])[cH:39]3)[o:47]2)[cH:30][cH:31]1.[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[OH2:129].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][c:38]1[c:37]([N:41]([S:42](=[O:43])(=[O:44])[CH3:45])[CH3:46])[n:36][c:35]2[c:34]([c:33]([C:48](=[O:49])[NH:50][CH3:51])[c:32](-[c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)[o:47]2)[cH:39]1)(=[O:6])[O:7][CH2:8][CH3:9]