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Benzoic Acid → 5-[4-(4-(2-t-Butoxycarbonylamino-2-methoxycarbonylethyl)phenoxy)benzilidene]thiazolidin-2,4-dione

HRID 1214259
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HRID 1214259 반응식
[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH:19]=[O:20])[cH:17][cH:18]2)[cH:10][cH:11]1)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[OH2:59].[OH:30][C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38].[S:45]1[C:46](=[O:51])[NH:47][C:48](=[O:50])[CH2:49]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH:19]=[C:49]3[S:45][C:46](=[O:51])[NH:47][C:48]3=[O:50])[cH:17][cH:18]2)[cH:10][cH:11]1)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 243Benzoic AcidHCID 962WaterHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 59869153Methyl 2-[(tert-butoxycarbonyl)amino]-3-[4-(4-formylphenoxy)phenyl]propanoate

생성물 1

HCID 76573110
5-[4-(4-(2-t-Butoxycarbonylamino-2-methoxycarbonylethyl)phenoxy)benzilidene]thiazolidin-2,4-dione

출처 및 근거

ORD 기록
ord-d0f34fa4133f46f78f66c4e91f515bf5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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