HRID106110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc2ccccc2c1

HCID53397921

未命名化合物

HCID86761530

未命名化合物

PRODUCTS

生成物

结构：COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc4ccccc4c3)NC(=O)OC(C)(C)C)C2)nc2ccc(Cl)nc21

HCID123204779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eee751feb5604a26a9c4ac422b8bda2c
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:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][CH:30]([CH2:31][C:32](=[O:33])[OH:34])[CH2:35][c:36]1[cH:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[cH:44][cH:45]1.[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:17][CH2:18][CH2:19][O:20][CH3:21])[c:9]([CH:11]1[CH2:12][NH:13][CH2:14][CH2:15][CH2:16]1)[n:10]2.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[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[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:17][CH2:18][CH2:19][O:20][CH3:21])[c:9]([CH:11]1[CH2:12][N:13]([C:32]([CH2:31][CH:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:35][c:36]3[cH:37][c:38]4[cH:39][cH:40][cH:41][cH:42][c:43]4[cH:44][cH:45]3)=[O:33])[CH2:14][CH2:15][CH2:16]1)[n:10]2