HRID1558914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID313

Hydrochloric Acid

ClH

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7622

Tributylamine

C12H27N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID105144

Palladium(2+)

Pd+2

HCID59942373

未命名化合物

PRODUCTS

生成物

HCID18414574

2,3-Dihydro-1-benzofuran-6-carboxylic acid

C9H8O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bc8241db2884b63a5956e5a715a0790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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