1-Butanol → CID 21132478

반응식

[CH2:34]([OH:35])[CH2:36][CH2:37][CH3:38].[CH3:24][CH2:25][CH2:26][CH2:27][C:28]([CH2:29][CH2:30][CH2:31][CH3:32])=[O:33].[s:1]1[cH:2][c:3]([CH2:10][CH:11]([NH2:12])[c:13]2[nH:14][cH:15][c:16](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:17]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]2[c:3]([c:4]3[c:5]1[cH:6][cH:7][cH:8][cH:9]3)[CH2:10][CH:11]([c:13]1[nH:14][cH:15][c:16](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:17]1)[NH:12][C:28]2([CH2:27][CH2:26][CH2:25][CH3:24])[CH2:29][CH2:30][CH2:31][CH3:32]

참가 물질

반응물 3

HCID 2631-Butanol

HCID 104055-Nonanone

HCID 178510872HCID 178510872, 화합물

생성물 1

HCID 178440918CID 21132478

출처 및 근거

ORD 기록: ord-94b141abb45c4e2db609c2e039ed69a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…