HRID2152427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

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

HCID11618717

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

C29H45P

结构：Cc1cc(Br)c2cnn(-c3ccc(OCc4ccccc4)c(F)c3)c2c1

HCID59272966

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(O)c2cnn(-c3ccc(OCc4ccccc4)c(F)c3)c2c1

HCID136085244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d97718ec6fe94449a5e564773f8d4f27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][n:5][n:6](-[c:12]3[cH:13][c:14]([F:26])[c:15]([O:18][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:16][cH:17]3)[c:7]2[cH:8][c:9]([CH3:11])[cH:10]1.[CH3:29][C:30]([P:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][c:41]1-[c:42]1[c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]1[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[ClH:59].[K+:28].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH-:27].[OH2:66]>>[c:2]1([OH:27])[c:3]2[cH:4][n:5][n:6](-[c:12]3[cH:13][c:14]([F:26])[c:15]([O:18][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:16][cH:17]3)[c:7]2[cH:8][c:9]([CH3:11])[cH:10]1