HRID690035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID6328

Methyl iodide

CH3I

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1c(C)c(C)c(P(C(C)(C)C)C(C)(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C

HCID11953610

Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphane

C33H53P

结构：CCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(Cl)cc21

HCID58577370

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)n(-c2ccc(OCc3ccccc3)cc2)c2ncc(OC)cc21

HCID58577708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b526dca205e4fe1bbec4686971b2578
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

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