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Benzoic Acid → Icosan-9-yl benzoate

HRID 2126209
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인쇄 미리보기

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HRID 2126209 반응식
[BH4-:22].[C:33]([O-:34])(=[O:35])[C:36]([O-:37])=[O:38].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[OH:21].[Cl-:47].[Na+:23].[Na+:40].[Na+:41].[Na+:46].[O-:42][C:43](=[O:44])[O-:45].[OH2:50].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH:39].[OH:48][OH:49]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[O:21][C:25](=[O:24])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 243Benzoic AcidHCID 312ChlorideHCID 784Hydrogen PeroxideHCID 923Sodium Ion4회HCID 962WaterHCID 19660Carbonate IonHCID 28123BorohydrideHCID 71081Oxalate
HCID 157350
Hydroxyl
HCID 119833771-Dodecanol, octyl-

생성물 1

HCID 53719708Icosan-9-yl benzoate

출처 및 근거

ORD 기록
ord-f5d616af8b6e49bf91e001e5fdaef0fc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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