HRID136146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID996

Phenol

C6H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

反应SMILES：Nc1nc(C#CCCCc2ccccc2)cn2nc(-c3ccco3)nc12

HCID11450746

未命名化合物

PRODUCTS

产物

反应SMILES：Nc1nc(C#CCOc2ccccc2)cn2nc(-c3ccco3)nc12

HCID11232803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f0531458eb68494f9b8ec33d0d4df1d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[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].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[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.[o:8]1[c:9](-[c:13]2[n:14][n:15]3[c:16]([c:17]([NH2:32])[n:18][c:19]([C:21]#[C:22][CH2:23][CH2:24][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:20]3)[n:33]2)[cH:10][cH:11][cH:12]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:23][C:22]#[C:21][c:19]1[n:18][c:17]([NH2:32])[c:16]2[n:15]([n:14][c:13](-[c:9]3[o:8][cH:12][cH:11][cH:10]3)[n:33]2)[cH:20]1