HRID667270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID61778

Bisulfate anion

HO4S-

HCID78607

1,4′-Bipiperidine

C10H20N2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

结构：COC(=O)C(CN1CCc2[nH]ncc2C1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1

HCID58864216

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CN1CCc2[nH]ncc2C1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

HCID10348879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25188b3c90f74b8b87cb3cd543c8739e
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

[CH2:102]([Cl:103])[Cl:104].[CH3:1][O:2][C:3]([CH:4]([CH2:5][N:6]1[CH2:7][c:8]2[c:9]([nH:12][n:13][cH:14]2)[CH2:10][CH2:11]1)[NH:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:34])[NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[CH2:33]2)[CH2:22][CH2:23]1)=[O:35].[CH3:99][OH:100].[CH:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH2:62][CH3:63])([CH3:64])[CH3:65].[K+:44].[Li+:38].[NH:45]1[CH2:46][CH2:47][CH:48]([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:49][CH2:50]1.[OH-:37].[OH2:101].[OH2:36].[P-:66]([F:67])([F:68])([F:69])([F:70])([F:71])[F:72].[S:39]([O-:40])([OH:41])(=[O:42])=[O:43].[n:73]1([O:74][P+:75]([N:76]2[CH2:77][CH2:78][CH2:79][CH2:80]2)([N:81]2[CH2:82][CH2:83][CH2:84][CH2:85]2)[N:86]2[CH2:87][CH2:88][CH2:89][CH2:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][c:96]2[n:97][n:98]1>>[C:3]([CH:4]([CH2:5][N:6]1[CH2:7][c:8]2[c:9]([nH:12][n:13][cH:14]2)[CH2:10][CH2:11]1)[NH:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:34])[NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[CH2:33]2)[CH2:22][CH2:23]1)(=[O:35])[N:45]1[CH2:46][CH2:47][CH:48]([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:49][CH2:50]1