HRID816175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID476218

3-iodopyridine-2,6-diamine

C5H6IN3

结构：CC1(C)OB(c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)OC1(C)C

HCID45789683

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole

C28H29BN2O2

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：Nc1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(N)n1

HCID59255416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157ab2fcbae44bedbc71d16e30e81c56
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:10][CH2:11][OH:12].[CH3:136][CH2:137][O:138][C:139](=[O:140])[CH3:141].[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][n:29][n:30]([C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:31]2)[O:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[I:1][c:2]1[c:3]([NH2:9])[n:4][c:5]([NH2:8])[cH:6][cH:7]1.[Na+:13].[Na+:14].[O-:15][C:16](=[O:17])[O-:18].[OH2:142].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1(-[c:27]2[cH:28][n:29][n:30]([C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:31]2)[c:3]([NH2:9])[n:4][c:5]([NH2:8])[cH:6][cH:7]1