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Hydrochloric Acid → HCID 10951641, 화합물

HRID 1557745
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HRID 1557745 반응식
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[O:17][c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[c:24]3[cH:25][n:26]([CH2:33][CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[cH:41][cH:42]2)[cH:9][cH:10]1.[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:52][CH2:53][OH:54].[ClH:51].[Na+:44].[OH-:43]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[O:17][c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[c:24]3[cH:25][n:26]([CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[cH:41][cH:42]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 10897067Ethyl 4-[3-[4-[1-(4-isobutylphenyl)hexyloxy]benzoyl]indol-1-yl]butyrate

생성물 1

HCID 10951641HCID 10951641, 화합물

출처 및 근거

ORD 기록
ord-91017a66508a428294bd8ed736fc9d43
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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