HRID1115338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID10972

Aceturic Acid

C4H7NO3

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67323281

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC(=O)Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCN(C(=O)OC(C)(C)C)CC1

HCID67344922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0989a3e5b28f44b2a068dadd14b985f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[c:16]3[c:17]([n:18][cH:19][c:20]2[NH2:21])[n:22]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:23][cH:24]3)[CH2:12][CH2:13]1.[CH3:34][C:35](=[O:36])[NH:37][CH2:38][C:39]([OH:40])=[O:41].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[c:16]3[c:17]([n:18][cH:19][c:20]2[NH:21][C:39]([CH2:38][NH:37][C:35]([CH3:34])=[O:36])=[O:40])[n:22]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:23][cH:24]3)[CH2:12][CH2:13]1