HRID2330554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCn1c(N)c(NC(=O)Cc2ccc(N)cc2)c(=O)n(Cc2ccccc2F)c1=O

HCID21891680

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

C23H26FN5O3

结构：O=C(O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID21891807

未命名化合物

PRODUCTS

生成物

结构：CCCCn1c(N)c(NC(=O)Cc2ccc(NC(=O)c3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(=O)n(Cc2ccccc2F)c1=O

HCID58739226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28823c503c6f41c3b55d2242d36efc4e
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

[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]([C:25](=[O:26])[OH:27])[n:23][cH:24]1.[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[ClH:39].[NH2:40][c:41]1[c:42]([NH:61][C:62]([CH2:63][c:64]2[cH:65][cH:66][c:67]([NH2:70])[cH:68][cH:69]2)=[O:71])[c:43](=[O:60])[n:44]([CH2:52][c:53]2[c:54]([F:59])[cH:55][cH:56][cH:57][cH:58]2)[c:45](=[O:51])[n:46]1[CH2:47][CH2:48][CH2:49][CH3:50].[OH2:28].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]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]([C:25](=[O:26])[NH:70][c:67]2[cH:66][cH:65][c:64]([CH2:63][C:62]([NH:61][c:42]3[c:41]([NH2:40])[n:46]([CH2:47][CH2:48][CH2:49][CH3:50])[c:45](=[O:51])[n:44]([CH2:52][c:53]4[c:54]([F:59])[cH:55][cH:56][cH:57][cH:58]4)[c:43]3=[O:60])=[O:71])[cH:69][cH:68]2)[n:23][cH:24]1