HRID207926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID61163

4-(2-Hydroxyethyl)morpholine

C6H13NO2

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID135503852

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCN1CCOCC1

HCID21701555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b95c39e59bd241ee85cdbc5c787610a9
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

[Br:13][c:14]1[cH:15][c:16]([F:34])[c:17]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][c:25]([OH:31])[c:26]([O:29][CH3:30])[cH:27][c:28]23)[cH:32][cH:33]1.[CH2:64]([Cl:65])[Cl:66].[CH2:69]([Cl:70])[Cl:71].[CH3:67][OH:68].[ClH:63].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH:54][CH2:55][CH2:56][N:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Br:13][c:14]1[cH:15][c:16]([F:34])[c:17]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][c:25]([O:31][CH2:55][CH2:56][N:57]4[CH2:58][CH2:59][O:60][CH2:61][CH2:62]4)[c:26]([O:29][CH3:30])[cH:27][c:28]23)[cH:32][cH:33]1.[ClH:63]