HRID148638

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-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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(CN1Cc2cn[nH]c2C(C)(C)C1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1

HCID24863324

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)Cc2cn[nH]c21

HCID10372022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0a64986de0749eab600aea6f236f1b5
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

[CH2:114]([Cl:115])[Cl:116].[CH3:111][OH:112].[CH3:1][O:2][C:3]([CH:4]([CH2:5][N:6]1[CH2:7][c:8]2[c:9]([nH:14][n:15][cH:16]2)[C:10]([CH3:12])([CH3:13])[CH2:11]1)[NH:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([N:26]2[C:27](=[O:36])[NH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[CH2:35]2)[CH2:24][CH2:25]1)=[O:37].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[K+:46].[Li+:40].[NH:47]1[CH2:48][CH2:49][CH:50]([N:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:51][CH2:52]1.[OH-:39].[OH2:113].[OH2:38].[OH:101][n:102]1[c:103]2[c:104]([cH:105][cH:106][cH:107][cH:108]2)[n:109][n:110]1.[P-:68]([F:69])([F:70])([F:71])([F:72])([F:73])[F:74].[S:41]([O-:42])([OH:43])(=[O:44])=[O:45].[n:75]1([O:76][P+:77]([N:78]2[CH2:79][CH2:80][CH2:81][CH2:82]2)([N:83]2[CH2:84][CH2:85][CH2:86][CH2:87]2)[N:88]2[CH2:89][CH2:90][CH2:91][CH2:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][c:98]2[n:99][n:100]1>>[C:3]([CH:4]([CH2:5][N:6]1[CH2:7][c:8]2[c:9]([nH:14][n:15][cH:16]2)[C:10]([CH3:12])([CH3:13])[CH2:11]1)[NH:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([N:26]2[C:27](=[O:36])[NH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[CH2:35]2)[CH2:24][CH2:25]1)(=[O:37])[N:47]1[CH2:48][CH2:49][CH:50]([N:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:51][CH2:52]1