HRID313522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID263

1-Butanol

C4H10O

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID59473769

未命名化合物

结构：Cn1nc(Cl)cc(Nc2cc3n(n2)CCN(C2COC2)C3)c1=O

HCID66742266

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3cc4n(n3)CCN(C3COC3)C4)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID66742392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5567182930864b2699cb889ad580a059
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7](-[n:21]2[c:22](=[O:36])[c:23]3[c:24]([F:35])[cH:25][c:26]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:27][c:28]3[cH:29][n:30]2)[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1.[CH2:104]([OH:105])[CH2:106][CH2:107][CH3:108].[CH:68]1([P:69]([CH:70]2[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2-[c:82]2[c:83]([CH:84]([CH3:85])[CH3:86])[cH:87][c:88]([CH:89]([CH3:90])[CH3:91])[cH:92][c:93]2[CH:94]([CH3:95])[CH3:96])[CH2:97][CH2:98][CH2:99][CH2:100][CH2:101]1.[Cl-:102].[Cl:37][c:38]1[cH:39][c:40]([NH:46][c:47]2[n:48][n:49]3[c:50]([cH:59]2)[CH2:51][N:52]([CH:55]2[CH2:56][O:57][CH2:58]2)[CH2:53][CH2:54]3)[c:41](=[O:45])[n:42]([CH3:44])[n:43]1.[K+:65].[K+:66].[K+:67].[NH4+:103].[OH2:109].[P:60]([O-:61])([O-:62])([O-:63])=[O:64]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7](-[n:21]2[c:22](=[O:36])[c:23]3[c:24]([F:35])[cH:25][c:26]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:27][c:28]3[cH:29][n:30]2)[cH:8][cH:9][cH:10][c:11]1-[c:38]1[cH:39][c:40]([NH:46][c:47]2[n:48][n:49]3[c:50]([cH:59]2)[CH2:51][N:52]([CH:55]2[CH2:56][O:57][CH2:58]2)[CH2:53][CH2:54]3)[c:41](=[O:45])[n:42]([CH3:44])[n:43]1