HRID669766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID15546994

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(CCCc1ccccc1)CCCc1ccccc1

HCID12136765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-750af0b237f540c4bc328f827eedc81d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[OH:16])[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH2:80]([Cl:81])[Cl:82].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[ClH:17].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[c:18]1([CH2:24][CH2:25][CH2:26][CH:27]([CH2:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[NH2:37])[cH:19][cH:20][cH:21][cH:22][cH:23]1.[n:54]1([O:55][P+:56]([N:57]2[CH2:58][CH2:59][CH2:60][CH2:61]2)([N:62]2[CH2:63][CH2:64][CH2:65][CH2:66]2)[N:67]2[CH2:68][CH2:69][CH2:70][CH2:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:16])[NH:37][CH:27]([CH2:26][CH2:25][CH2:24][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:10][CH2:11][CH2:12][CH2:13]1