HRID113978

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

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

HCID2724700

未命名化合物

HCID15546994

未命名化合物

HCID23435445

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1

HCID20622411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5791adfaa5c24baabe28d1a099c12a0a
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])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH2:15][C:16](=[O:17])[OH:18])=[O:19])[CH2:12][CH2:13]1.[CH2:83]([Cl:84])[Cl:85].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:20].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[c:21]1([CH2:27][CH2:28][CH2:29][CH:30]([CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[NH2:40])[cH:22][cH:23][cH:24][cH:25][cH:26]1.[n:57]1([O:58][P+:59]([N:60]2[CH2:61][CH2:62][CH2:63][CH2:64]2)([N:65]2[CH2:66][CH2:67][CH2:68][CH2:69]2)[N:70]2[CH2:71][CH2:72][CH2:73][CH2:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH2:15][C:16](=[O:18])[NH:40][CH:30]([CH2:29][CH2:28][CH2:27][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:19])[CH2:12][CH2:13]1