HRID1127177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2737102

2-oxaspiro[4.4]nonane-1,3-dione

C8H10O3

结构：CC(C)(CC(=O)N1CCCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1)C(=O)O

HCID44622828

未命名化合物

结构：O=C(Nc1ccc(N2CCCNCC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID59185685

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(N2CCCN(C(=O)CC3(C(=O)O)CCCC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID59185689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4316259cac8246ad830afdf9ef66624a
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:73]1(=[O:83])[O:74][C:75](=[O:82])[CH2:76][C:77]12[CH2:78][CH2:79][CH2:80][CH2:81]2.[CH3:1][C:2]([CH3:3])([CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][N:11]([c:12]2[cH:13][cH:14][c:15]([NH:16][C:17]([c:18]3[n:19][c:20](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[o:27][c:28]3[C:29]([F:30])([F:31])[F:32])=[O:33])[cH:34][cH:35]2)[CH2:36][CH2:37]1)[C:38]([OH:39])=[O:40].[ClH:41].[N:42]1([c:49]2[cH:50][cH:51][c:52]([NH:55][C:56](=[O:57])[c:58]3[n:59][c:60](-[c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)[o:61][c:62]3[C:63]([F:64])([F:65])[F:66])[cH:53][n:54]2)[CH2:43][CH2:44][NH:45][CH2:46][CH2:47][CH2:48]1>>[N:42]1([c:49]2[cH:50][cH:51][c:52]([NH:55][C:56](=[O:57])[c:58]3[n:59][c:60](-[c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)[o:61][c:62]3[C:63]([F:64])([F:65])[F:66])[cH:53][n:54]2)[CH2:43][CH2:44][N:45]([C:75]([CH2:76][C:77]2([C:73](=[O:74])[OH:83])[CH2:78][CH2:79][CH2:80][CH2:81]2)=[O:82])[CH2:46][CH2:47][CH2:48]1