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Hydrochloric Acid → 5-[4-(4-(2-(2-t-Butoxycarbonylaminopropanamido)-2-methoxycarbonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione

HRID 116758
Notes
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Reaction equation

HRID 116758 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[NH:37][CH:38]([C:39](=[O:40])[OH:41])[CH3:42].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:43]1([N:44]=[C:45]=[N:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[ClH:1].[NH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][cH:12][c:13]([CH:14]=[C:15]3[C:16](=[O:21])[NH:17][C:18](=[O:20])[S:19]3)[cH:22][cH:23]2)[cH:24][cH:25]1)[C:26](=[O:27])[O:28][CH3:29].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58]>>[NH:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][cH:12][c:13]([CH:14]=[C:15]3[C:16](=[O:21])[NH:17][C:18](=[O:20])[S:19]3)[cH:22][cH:23]2)[cH:24][cH:25]1)[C:26](=[O:27])[O:28][CH3:29])[C:39]([CH:38]([NH:37][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH3:42])=[O:40]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 10868DicyclohexylcarbodiimideHCID 2684712-N-Boc-aminopropionic acidHCID 73038789
5-[4-(4-(2-Amino-2-methoxycarbonylethyl) phenoxy)benzilidene]thiazolidin-2,4-dione

Product 1

HCID 865974435-[4-(4-(2-(2-t-Butoxycarbonylaminopropanamido)-2-methoxycarbonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione

Sources & evidence

ORD record
ord-6df51a7336824cfb89fcdd1c24e4eaa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes