HRID105734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734338

3,5-Difluorophenylboronic acid

C6H5BF2O2

结构：O=C(c1ccccc1)N1CCc2[nH]c3cccc(Br)c3c2CC1

HCID22396619

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：O=C(c1ccccc1)N1CCc2[nH]c3cccc(-c4cc(F)cc(F)c4)c3c2CC1

HCID22396593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c436f1ab081d4af391567a06b8b78cae
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[nH:13][c:14]3[cH:15][cH:16][cH:17][c:18]([Br:23])[c:19]3[c:20]2[CH2:21][CH2:22]1.[CH2:47]([CH2:48][O:49][CH3:50])[O:51][CH3:52].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:41][OH:42].[Cl:43][CH:44]([Cl:45])[Cl:46].[F:24][c:25]1[cH:26][c:27]([B:32]([OH:33])[OH:34])[cH:28][c:29]([F:31])[cH:30]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:58].[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:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[nH:13][c:14]3[cH:15][cH:16][cH:17][c:18](-[c:27]4[cH:26][c:25]([F:24])[cH:30][c:29]([F:31])[cH:28]4)[c:19]3[c:20]2[CH2:21][CH2:22]1