HRID1238977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4343771

[1-(tert-Butoxycarbonyl)pyrrolidin-3-yl]acetic acid

C11H19NO4

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(NN)cnc32)cc1

HCID58009810

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)CC4CCN(C(=O)OC(C)(C)C)C4)cnc32)cc1

HCID67998431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb2c1e5e9ffd4915af61527e0dee4fa0
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:13][C:14](=[O:15])[OH:16])[CH2:11][CH2:12]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[NH:17]([NH2:18])[c:19]1[n:20][c:21]2[c:22]([n:23][cH:24]1)[n:25]([S:28](=[O:29])(=[O:30])[c:31]1[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]1)[cH:26][cH:27]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:13][C:14](=[O:16])[NH:18][NH:17][c:19]2[n:20][c:21]3[c:22]([n:23][cH:24]2)[n:25]([S:28](=[O:29])(=[O:30])[c:31]2[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]2)[cH:26][cH:27]3)[CH2:11][CH2:12]1