HRID1124168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID9869737

CGP-74588

C28H29N7O

HCID72466009

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)OP(=O)(CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1)Oc1ccccc1

HCID72557676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52975f894f224b93b9d4baadccefa714
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:37]([CH3:38])[O:39][C:40]([CH:41]([CH3:42])[O:43][P:44](=[O:45])([O:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH2:53][CH:54]=[O:55])=[O:56].[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>>[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]([CH2:54][CH2:53][P:44]([O:43][CH:41]([C:40]([O:39][CH2:37][CH3:38])=[O:56])[CH3:42])(=[O:45])[O:46][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1