Water → 4-[(5,6-Dihydro-5,5-dimethyl-8-(2-pyridyl)-2-naphthalenyl)ethynyl]benzoic acid

反応式

[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:1][C:2]1([CH3:31])[c:3]2[cH:4][cH:5][c:6]([C:18]#[C:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][cH:30]3)[cH:7][c:8]2[C:9]([c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)=[CH:10][CH2:11]1.[OH2:37]>>[CH3:1][C:2]1([CH3:31])[c:3]2[cH:4][cH:5][c:6]([C:18]#[C:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:29][cH:30]3)[cH:7][c:8]2[C:9]([c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)=[CH:10][CH2:11]1

参加物

反応物 3

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 15870721Ethyl 4-[(7,8-dihydro-8,8-dimethyl-5-(2-pyridyl)naphth-3-yl)ethynyl]benzoate

生成物 1

HCID 223237384-[(5,6-Dihydro-5,5-dimethyl-8-(2-pyridyl)-2-naphthalenyl)ethynyl]benzoic acid

出典と根拠

ORDレコード: ord-ac9db10523b9495bb0ab7b5b09d2b2f1
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…