HRID191837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID10954202

5,6-Diamino-3-propylpyrimidine-2,4(1H,3H)-dione

C7H12N4O2

结构：O=C(O)c1cnn(CC2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1

HCID57988756

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(=O)[nH]c(N)c(NC(=O)c2cnn(CC3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)c2)c1=O

HCID57988763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c9f6b43e53843579b740ac3c4656708
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:50][OH:51].[NH2:26][c:27]1[c:28](=[O:38])[n:29]([CH2:35][CH2:36][CH3:37])[c:30](=[O:34])[nH:31][c:32]1[NH2:33].[O:1]=[C:2]1[CH2:3][CH:4]([CH2:17][n:18]2[n:19][cH:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]2)[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1>>[O:1]=[C:2]1[CH2:3][CH:4]([CH2:17][n:18]2[n:19][cH:20][c:21]([C:23](=[O:24])[NH:26][c:27]3[c:28](=[O:38])[n:29]([CH2:35][CH2:36][CH3:37])[c:30](=[O:34])[nH:31][c:32]3[NH2:33])[cH:22]2)[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1