HRID88782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：CCN1c2ncc(CCO)cc2C(=O)Nc2c(C)cc(Cl)nc21

HCID18466608

未命名化合物

HCID135441757

Quinolin-5-ol

C9H7NO

PRODUCTS

生成物

结构：CCN1c2ncc(CCOc3cccc4ncccc34)cc2C(=O)Nc2c(C)cc(Cl)nc21

HCID3010667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-406a3bcc18b648f98a52ce24eb9d71dc
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

[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl:13][c:14]1[cH:15][c:16]([CH3:35])[c:17]2[c:23]([n:24]1)[N:22]([CH2:25][CH3:26])[c:21]1[c:20]([cH:30][c:29]([CH2:31][CH2:32][OH:33])[cH:28][n:27]1)[C:19](=[O:34])[NH:18]2.[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:36][c:37]1[c:38]2[cH:39][cH:40][cH:41][n:42][c:43]2[cH:44][cH:45][cH:46]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[Cl:13][c:14]1[cH:15][c:16]([CH3:35])[c:17]2[c:23]([n:24]1)[N:22]([CH2:25][CH3:26])[c:21]1[c:20]([cH:30][c:29]([CH2:31][CH2:32][O:33][c:37]3[c:38]4[cH:39][cH:40][cH:41][n:42][c:43]4[cH:44][cH:45][cH:46]3)[cH:28][n:27]1)[C:19](=[O:34])[NH:18]2