HRID314502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID292103

3-methylmorpholine

C5H11NO

HCID498716

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C=O)cnc3Nc3cnc(OC)c(F)c3)n2)cc1

HCID71500362

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOCC4C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1

HCID66611334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e0859b3dbe34c54a4cfa18bdb900cc9
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

[C:52]([BH3-:53])#[N:54].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][NH:7]1.[CH3:61][CH2:62][O-:63].[CH3:65][CH2:66][O-:67].[CH3:68][CH2:69][O-:70].[CH3:71][CH2:72][O-:73].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[n:17][c:18](-[c:23]3[c:24]([NH:31][c:32]4[cH:33][n:34][c:35]([O:39][CH3:40])[c:36]([F:38])[cH:37]4)[n:25][cH:26][c:27]([CH:28]=[O:29])[cH:30]3)[n:19][c:20]([CH3:22])[n:21]2)[CH2:41][c:42]2[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]2)[cH:50][cH:51]1.[Na+:55].[Ti+4:64]>>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[CH2:28][c:27]1[cH:26][n:25][c:24]([NH:31][c:32]2[cH:33][n:34][c:35]([O:39][CH3:40])[c:36]([F:38])[cH:37]2)[c:23](-[c:18]2[n:17][c:16]([N:15]([CH2:14][c:13]3[cH:12][cH:11][c:10]([O:9][CH3:8])[cH:51][cH:50]3)[CH2:41][c:42]3[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[n:21][c:20]([CH3:22])[n:19]2)[cH:30]1