HRID178030

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

HCID66634699

未命名化合物

PRODUCTS

生成物

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

HCID66742190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-528cb5b1ac03445e9bbdcee4820942d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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.[CH2:101]([OH:102])[CH2:103][CH2:104][CH3:105].[CH:65]1([P:66]([CH:67]2[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2-[c:79]2[c:80]([CH:81]([CH3:82])[CH3:83])[cH:84][c:85]([CH:86]([CH3:87])[CH3:88])[cH:89][c:90]2[CH:91]([CH3:92])[CH3:93])[CH2:94][CH2:95][CH2:96][CH2:97][CH2:98]1.[Cl-:99].[Cl:37][c:38]1[cH:39][c:40]([NH:46][c:47]2[n:48][n:49]3[c:50]([cH:56]2)[CH2:51][N:52]([CH3:55])[CH2:53][CH2:54]3)[c:41](=[O:45])[n:42]([CH3:44])[n:43]1.[K+:62].[K+:63].[K+:64].[NH4+:100].[OH2:106].[P:57]([O-:58])([O-:59])([O-:60])=[O:61]>>[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:56]2)[CH2:51][N:52]([CH3:55])[CH2:53][CH2:54]3)[c:41](=[O:45])[n:42]([CH3:44])[n:43]1