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Hydrochloric Acid → 5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-(ethylmethylamino)-4-thiazolidinone

HRID 666063
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HRID 666063 반응식
[CH2:28]([SnH:29]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]=[C:17]2[C:18](=[O:27])[N:19]([N:23]([CH3:24])[CH2:25][CH3:26])[C:20](=[S:22])[S:21]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:54]([Cl:55])([Cl:56])[Cl:57].[ClH:53].[N:41]#[C:42][C:43]([N:44]=[N:45][C:46]([C:47]#[N:48])([CH3:49])[CH3:50])([CH3:51])[CH3:52]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]=[C:17]2[C:18](=[O:27])[N:19]([N:23]([CH3:24])[CH2:25][CH3:26])[CH2:20][S:21]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 5948TributylstannaneHCID 6212ChloroformHCID 6547AzobisisobutyronitrileHCID 8058HexaneHCID 8857Ethyl Acetate
HCID 54304106
5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-(ethylmethylamino)-2-thioxo-4-thiazolidinone

생성물 1

HCID 538291925-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-(ethylmethylamino)-4-thiazolidinone

출처 및 근거

ORD 기록
ord-5c1b63163b914948a32cc28b38a81276
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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