HRID203231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID599539

2-Amino-5-bromopyrazine

C4H4BrN3

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

PRODUCTS

生成物

HCID11644015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f8b7458cd73420988935c1477583998
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

[CH3:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[CH3:31][CH2:32][OH:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl-:24].[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:8])[n:6][cH:7]1.[Na+:17].[Na+:18].[Na+:23].[O-:19][C:20](=[O:21])[O-:22].[OH2:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([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)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[s:9]1[c:10]([B:14]([OH:15])[OH:16])[cH:11][cH:12][cH:13]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:10]2[s:9][cH:13][cH:12][cH:11]2)[n:6][cH:7]1