HRID2145786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID13733129

Phenyl (2,4-difluorophenyl)carbamate

C13H9F2NO2

结构：COc1cc2nccc(Oc3ccc4[nH]ccc4c3)c2cc1C(N)=O

HCID22936468

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)cc4F)c3)c2cc1C(N)=O

HCID22937001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c59ff67ce69e485ab7b91947300bf5e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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