HRID2316397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8072

2-(Ethylamino)ethanol

C4H11NO

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(Cc1cc(Nc2ncnc3cc(OCCCCl)ccc23)n[nH]1)Nc1cccc(F)c1

HCID16221454

未命名化合物

PRODUCTS

生成物

结构：CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1

HCID16007391

AZD-1152HQPA

C26H30FN7O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6083ea4c3b745b7b34749d92951567d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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