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Hydrochloric Acid → 2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-[3-[N-methyl-N-[2-(3,4-methylenedioxyphenoxy)ethyl]-amino]propyl]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one

HRID 92479
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HRID 92479 반응식
[Al+3:46].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]2[S:17][CH:18]([CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[C:19](=[O:38])[N:20]2[CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH2:26][O:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][cH:33]2)[O:34][CH2:35][O:36]3)[CH3:37])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[ClH:51].[H-:45].[H-:48].[H-:49].[H-:50].[Li+:47].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]2[S:17][CH:18]([CH2:39][CH2:40][OH:41])[C:19](=[O:38])[N:20]2[CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH2:26][O:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][cH:33]2)[O:34][CH2:35][O:36]3)[CH3:37])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4회HCID 544079592-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-3-[3-[N-methyl-N-[2-(3,4-methylenedioxyphenoxy)ethyl]amino]-propyl]-5-ethoxycarbonylmethyl-1,3-thiazolidin-4-one

생성물 1

HCID 537350502-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-[3-[N-methyl-N-[2-(3,4-methylenedioxyphenoxy)ethyl]-amino]propyl]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one

출처 및 근거

ORD 기록
ord-1c056442423d4676af5265c5a7ec63ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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