HRID115613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID61055

4-Morpholinepropanamine

C7H16N2O

HCID4293995

3-[(Diethoxyphosphoryl)oxy]-1,2,3-benzotriazin-4(3H)-one

C11H14N3O5P

结构：NC(=O)C(=C1Nc2ccc(C(=O)O)cc2S1)c1nccc(C(F)(F)F)n1

HCID66593549

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC(=O)C(=C1Nc2ccc(C(=O)NCCCN3CCOCC3)cc2S1)c1nccc(C(F)(F)F)n1

HCID66593578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88fdb5e509c54eb192caa03f29cccd18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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