HRID665427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID11309

9-Bromophenanthrene

C14H9Br

HCID262170

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1NC(c1ccccc1)c1cc2ccccc2c2ccccc12

HCID58238644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-999a0f5cfb234b8dae1cbcc878cfc282
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15]1.[C:16]([Li:17])([CH3:18])([CH3:19])[CH3:20].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:21][O:22][c:23]1[c:24]([N:25]=[CH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH3:47].[OH2:37]>>[c:2]1([CH:26]([NH:25][c:24]2[c:23]([O:22][CH3:21])[cH:36][cH:35][cH:34][cH:33]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15]1