HRID99772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14039

Monoacetyl hydrazine

C2H6N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1c(CC(=O)O)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C

HCID59191538

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NNC(=O)Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1C

HCID59191525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d95894072ae14a0c99bb8aad6f129042
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]([CH3:2])(=[O:3])[NH:4][NH2:5].[CH3:15][c:16]1[c:17]([CH2:39][C:40](=[O:41])[OH:42])[n:18][n:19][c:20]([N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[CH2:27][CH2:28]2)[c:21]1[CH3:22].[CH:6]([N:7]([CH:8]([CH3:9])[CH3:10])[CH2:11][CH3:12])([CH3:13])[CH3:14].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1.[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])(=[O:3])[NH:4][NH:5][C:40]([CH2:39][c:17]1[c:16]([CH3:15])[c:21]([CH3:22])[c:20]([N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[CH2:27][CH2:28]2)[n:19][n:18]1)=[O:41]