HRID285708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID58044016

未命名化合物

HCID58044205

未命名化合物

PRODUCTS

产物

HCID67016396

4-Fluoro-2-(1-methyl-5-(5-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridazin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

C37H41FN8O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aac4efc0ce9043d9bf85f67c480b767e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:8][c:9]([F:26])[cH:10][c:11]1[N:12]1[C:13](=[O:25])[c:14]2[n:15]([c:16]3[c:21]([cH:22]2)[CH2:20][CH2:19][CH2:18][CH2:17]3)[CH2:23][CH2:24]1.[C:62]([O-:63])(=[O:64])[CH3:65].[Cl:36][c:37]1[cH:38][c:39]([NH:45][c:46]2[n:47][cH:48][c:49]([N:52]3[CH2:53][CH2:54][N:55]([CH:58]4[CH2:59][O:60][CH2:61]4)[CH2:56][CH2:57]3)[cH:50][cH:51]2)[c:40](=[O:44])[n:41]([CH3:43])[n:42]1.[Na+:66]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7](-[c:37]2[cH:38][c:39]([NH:45][c:46]3[n:47][cH:48][c:49]([N:52]4[CH2:53][CH2:54][N:55]([CH:58]5[CH2:59][O:60][CH2:61]5)[CH2:56][CH2:57]4)[cH:50][cH:51]3)[c:40](=[O:44])[n:41]([CH3:43])[n:42]2)[cH:8][c:9]([F:26])[cH:10][c:11]1[N:12]1[C:13](=[O:25])[c:14]2[n:15]([c:16]3[c:21]([cH:22]2)[CH2:20][CH2:19][CH2:18][CH2:17]3)[CH2:23][CH2:24]1