HRID116995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID79218

Diethyl (2-bromoethyl)phosphonate

C6H14BrO3P

结构：Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

HCID9869737

CGP-74588

C28H29N7O

PRODUCTS

生成物

结构：CCOP(=O)(CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1)OCC

HCID59772964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-767aed9552834d5aafbf45c53ddfd1ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:37][CH2:38][CH2:39][P:40]([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47].[CH3:1][c:2]1[c:3]([NH:24][c:25]2[n:26][cH:27][cH:28][c:29](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][c:2]1[c:3]([NH:24][c:25]2[n:26][cH:27][cH:28][c:29](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][N:20]([CH2:38][CH2:39][P:40]([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47])[CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1