HRID108956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

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+

HCID14769104

Methyl 4-(methylamino)butanoate

C6H13NO2

结构：O=C(O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID21880607

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCNCC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID66781794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eea3909f99e47a0bf898300f80601eb
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

[CH3:2][O:3][C:4]([CH2:5][CH2:6][CH2:7][NH:8][CH3:9])=[O:10].[CH3:45][N+:46]([CH3:47])=[C:48]([N:49]([CH3:50])[CH3:51])[O:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:71][CH2:72][Cl:73].[ClH:1].[OH2:74].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[c:11]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:12]([NH:17][C:18](=[O:19])[O:20][CH:21]2[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[CH2:25][CH2:26]2)[cH:13][cH:14][cH:15][cH:16]1>>[CH3:2][O:3][C:4]([CH2:5][CH2:6][CH2:7][NH:8][CH2:9][C:29]([CH2:28][CH2:27][N:24]1[CH2:23][CH2:22][CH:21]([O:20][C:18]([NH:17][c:12]2[c:11](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:16][cH:15][cH:14][cH:13]2)=[O:19])[CH2:26][CH2:25]1)=[O:30])=[O:10]