HRID134343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7852

Propylamine

C3H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1C1CCC(C2)O1

HCID66846098

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1C1CCC(C2)O1

HCID25002396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20c7cfc3e9fd40b0a5a6acad3893c2c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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