HRID1223775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：OCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID13471694

1-(Triphenylmethyl)-1H-1,2,4-triazole-3-methanol

C22H19N3O

结构：CC(=O)Nc1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1

HCID21891749

2-(4-Acetamidophenyl)-N-{6-amino-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}acetamide

C21H20FN5O4

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(CC(=O)Nc2c(N)n(Cc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c(=O)n(Cc3ccccc3F)c2=O)cc1

HCID58739260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df198153f2d24ea48c76b3caf0476230
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22]([CH2:25][OH:26])[n:23][cH:24]1.[C:46]([CH3:47])(=[O:48])[NH:49][c:50]1[cH:51][cH:52][c:53]([CH2:56][C:57](=[O:58])[NH:59][c:60]2[c:61](=[O:76])[n:62]([CH2:68][c:69]3[c:70]([F:75])[cH:71][cH:72][cH:73][cH:74]3)[c:63](=[O:67])[nH:64][c:65]2[NH2:66])[cH:54][cH:55]1.[O:77]1[CH2:78][CH2:79][CH2:80][CH2:81]1.[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22]([CH2:25][n:64]2[c:63](=[O:67])[n:62]([CH2:68][c:69]3[c:70]([F:75])[cH:71][cH:72][cH:73][cH:74]3)[c:61](=[O:76])[c:60]([NH:59][C:57]([CH2:56][c:53]3[cH:52][cH:51][c:50]([NH:49][C:46]([CH3:47])=[O:48])[cH:55][cH:54]3)=[O:58])[c:65]2[NH2:66])[n:23][cH:24]1