HRID112923

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

HCID19660

Carbonate

CO3-2

HCID21984477

未命名化合物

结构：Cc1cc(N2CC=C(C(=O)OC(C)C)CC2)c2cccc(Br)c2n1

HCID22574430

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：Cc1cc(N2CC=C(C(=O)OC(C)C)CC2)c2cccc(-c3ccc(Cl)cc3Cl)c2n1

HCID12134673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c456872ee9134a11af8ddf7df6964462
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([N:13]3[CH2:14][CH2:15][C:16]([C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24])=[CH:17][CH2:18]3)[cH:8][c:9]([CH3:12])[n:10][c:11]12.[CH3:121][CH2:122][OH:123].[CH3:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[Cl:25][c:26]1[c:27]([O:33][B:34]([OH:35])[OH:36])[cH:28][cH:29][c:30]([Cl:32])[cH:31]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:43].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)[cH:119][cH:120]1>>[c:2]1(-[c:27]2[c:26]([Cl:25])[cH:31][c:30]([Cl:32])[cH:29][cH:28]2)[cH:3][cH:4][cH:5][c:6]2[c:7]([N:13]3[CH2:14][CH2:15][C:16]([C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24])=[CH:17][CH2:18]3)[cH:8][c:9]([CH3:12])[n:10][c:11]12