HRID288877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID51064090

6,7-Dihydro-5H-cyclopenta[b]pyridin-5-ol

C8H9NO

结构：CC(=O)N1CCC(c2nsc(Nc3ncc(Br)cc3O)n2)CC1

HCID67487299

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(c2nsc(Nc3ncc(Br)cc3OC3CCc4ncccc43)n2)CC1

HCID59291716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-021c055dd19f462ab6a453f2af2d960a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([OH:23])[c:5]([NH:8][c:9]2[n:10][c:11]([CH:14]3[CH2:15][CH2:16][N:17]([C:20]([CH3:21])=[O:22])[CH2:18][CH2:19]3)[n:12][s:13]2)[n:6][cH:7]1.[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[O:53]=[C:54]([O:55][CH:56]([CH3:57])[CH3:58])[N:59]=[N:60][C:61]([O:62][CH:63]([CH3:64])[CH3:65])=[O:66].[OH2:72].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29]1)[CH:30]([OH:33])[CH2:31][CH2:32]2>>[Br:1][c:2]1[cH:3][c:4]([O:23][CH:30]2[c:26]3[c:25]([n:24][cH:29][cH:28][cH:27]3)[CH2:32][CH2:31]2)[c:5]([NH:8][c:9]2[n:10][c:11]([CH:14]3[CH2:15][CH2:16][N:17]([C:20]([CH3:21])=[O:22])[CH2:18][CH2:19]3)[n:12][s:13]2)[n:6][cH:7]1