HRID183576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID8471

Triethylamine

C6H15N

HCID11457

Benzene, 1-bromo-3-nitro-

C6H4BrNO2

HCID11776

Triphenylphosphine

C18H15P

HCID30165

Iodide ion

I-

HCID104682

Benzenamine, 3-ethynyl-

C8H7N

HCID112236

3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-

C11H13NO

HCID12341474

Phenylethyn-1-amine

C8H7N

PRODUCTS

生成物

HCID118480

3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-

C11H11NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e11ed16934347fab270304f67088590
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

[Br:32][c:33]1[cH:34][c:35]([N+:39](=[O:40])[O-:41])[cH:36][cH:37][cH:38]1.[CH3:1][C:2]([CH3:3])([C:4]#[C:5][c:6]1[cH:7][cH:8][cH:9][c:10]([NH2:11])[cH:12]1)[OH:13].[CH3:42][C:43]([OH:44])([C:45]#[CH:46])[CH3:47].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[I-:67].[NH2:14][C:15]#[C:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[NH2:23][c:24]1[cH:25][c:26]([C:27]#[CH:28])[cH:29][cH:30][cH:31]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH3:1][C:2]([CH3:3])([C:4]#[C:5][c:33]1[cH:34][c:35]([N+:39](=[O:40])[O-:41])[cH:36][cH:37][cH:38]1)[OH:13]