HRID1127983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(OC(C)(C)CN(C)C)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID66742542

2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(5-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-benzyl acetate

C37H42FN7O5

PRODUCTS

生成物

结构：CN(C)CC(C)(C)Oc1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1

HCID56656506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08042de9bf3c45819d0ec05af88567c8
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

[C:1](=[O:2])([CH3:3])[O:4][CH2:5][c:6]1[c:7](-[n:35]2[c:36](=[O:50])[c:37]3[c:38]([F:49])[cH:39][c:40]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:41][c:42]3[cH:43][n:44]2)[cH:8][cH:9][cH:10][c:11]1-[c:12]1[n:13][n:14]([CH3:34])[c:15](=[O:33])[c:16]([NH:18][c:19]2[n:20][cH:21][c:22]([O:25][C:26]([CH2:27][N:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32])[cH:23][cH:24]2)[cH:17]1.[CH2:53]([Cl:54])[Cl:55].[Na+:52].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH-:51].[OH2:62]>>[OH:4][CH2:5][c:6]1[c:7](-[n:35]2[c:36](=[O:50])[c:37]3[c:38]([F:49])[cH:39][c:40]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:41][c:42]3[cH:43][n:44]2)[cH:8][cH:9][cH:10][c:11]1-[c:12]1[n:13][n:14]([CH3:34])[c:15](=[O:33])[c:16]([NH:18][c:19]2[n:20][cH:21][c:22]([O:25][C:26]([CH2:27][N:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32])[cH:23][cH:24]2)[cH:17]1