HRID155039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

结构：C=CCN(C)Cc1cc2cc(Nc3nc(N)n(C(=O)c4cccc(C)c4)n3)ccc2o1

HCID66929187

未命名化合物

PRODUCTS

生成物

结构：CNCc1cc2cc(Nc3nc(N)n(C(=O)c4cccc(C)c4)n3)ccc2o1

HCID66929702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df8c89fbf8034368b9cb052d48aef7d6
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

[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[NH2:31][c:32]1[n:33][c:34]([NH:46][c:47]2[cH:48][cH:49][c:50]3[c:51]([cH:52][c:53]([CH2:55][N:56]([CH3:57])[CH2:58][CH:59]=[CH2:60])[o:54]3)[cH:61]2)[n:35][n:36]1[C:37](=[O:38])[c:39]1[cH:40][c:41]([CH3:45])[cH:42][cH:43][cH:44]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH2:31][c:32]1[n:33][c:34]([NH:46][c:47]2[cH:48][cH:49][c:50]3[c:51]([cH:52][c:53]([CH2:55][NH:56][CH3:57])[o:54]3)[cH:61]2)[n:35][n:36]1[C:37](=[O:38])[c:39]1[cH:40][c:41]([CH3:45])[cH:42][cH:43][cH:44]1