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Water → Ditert-butyl 2-[[4-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-methylpropanoyl]amino]benzoyl]amino]pentanedioate

HRID 2315129
Notes
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Reaction equation

HRID 2315129 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH:8][C:9]([c:10]1[cH:11][cH:12][c:13]([NH2:16])[cH:14][cH:15]1)=[O:17])[CH2:18][CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27].[C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])(=[O:44])[O:45][CH:46]([CH2:47][S:48][CH2:49][CH:50]([C:51](=[O:52])[OH:53])[CH3:54])[CH2:55][O:56][C:57]([CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72])=[O:73].[Cl:81][P:82]([Cl:83])[Cl:84].[OH2:74].[cH:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH:8][C:9]([c:10]1[cH:11][cH:12][c:13]([NH:16][C:51]([CH:50]([CH2:49][S:48][CH2:47][CH:46]([O:45][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])=[O:44])[CH2:55][O:56][C:57]([CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72])=[O:73])[CH3:54])=[O:52])[cH:14][cH:15]1)=[O:17])[CH2:18][CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 24387Phosphorus trichlorideHCID 105324766,7-Bis(palmitoyloxy)-2-methyl-4-thiaheptanoic acidHCID 11025266Ditert-butyl 2-[(4-aminobenzoyl)amino]pentanedioate

Product 1

HCID 76134969
Ditert-butyl 2-[[4-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-methylpropanoyl]amino]benzoyl]amino]pentanedioate

Sources & evidence

ORD record
ord-0004772104cd40f8b27966b3aac48407
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes