HRID2135108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：O=C(c1ccc(Nc2cc(Cl)nn3ccnc23)nc1)N1CCOCC1

HCID57786785

[6-[(6-Chloroimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-4-morpholinylmethanone

C16H15ClN6O2

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

HCID58728993

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：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2nccn2n1

HCID42643907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-588eb387b89b4c3287e80110f8b23c40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[NH:36][c:37]2[c:38]([CH3:52])[c:39]([B:43]3[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]3)[cH:40][cH:41][cH:42]2)[cH:53][cH:54]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:146][CH2:147][OH:148].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:1][c:2]1[cH:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:16][n:17]2)[c:5]2[n:6]([n:7]1)[cH:8][cH:9][n:10]2.[K+:59].[K+:60].[OH2:145].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([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)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:39]2[c:38]([CH3:52])[c:37]([NH:36][C:34]([c:33]3[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:54][cH:53]3)=[O:35])[cH:42][cH:41][cH:40]2)[cH:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:16][n:17]2)[c:5]2[n:6]([n:7]1)[cH:8][cH:9][n:10]2