HRID691847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID20804982

3-Amino-N-cyclopropyl-2-hydroxyhexanamide

C9H18N2O2

结构：O=C(O)C(CS(=O)(=O)Cc1cccnc1)NC(c1ccc(F)cc1)C(F)(F)F

HCID178525651

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)C(CS(=O)(=O)Cc1cccnc1)NC(c1ccc(F)cc1)C(F)(F)F)C(O)C(=O)NC1CC1

HCID178449502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48b2a8944981441a92a20c835e0f91c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:29]1([NH:32][C:33]([CH:34]([CH:35]([CH2:36][CH2:37][CH3:38])[NH2:39])[OH:40])=[O:41])[CH2:30][CH2:31]1.[Cl-:66].[NH4+:67].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:1]1[cH:2][c:3]([CH2:7][S:8](=[O:9])(=[O:10])[CH2:11][CH:12]([C:13](=[O:14])[OH:15])[NH:16][CH:17]([C:18]([F:19])([F:20])[F:21])[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:4][cH:5][cH:6]1.[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[n:1]1[cH:2][c:3]([CH2:7][S:8](=[O:9])(=[O:10])[CH2:11][CH:12]([C:13](=[O:15])[NH:39][CH:35]([CH:34]([C:33]([NH:32][CH:29]2[CH2:30][CH2:31]2)=[O:41])[OH:40])[CH2:36][CH2:37][CH3:38])[NH:16][CH:17]([C:18]([F:19])([F:20])[F:21])[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:4][cH:5][cH:6]1