Pyridine → Ditert-butyl 2-[[4-[3-[2,3-bis(12-phenyldodecanoyloxy)propylsulfanyl]propanoylamino]benzoyl]amino]pentanedioate

HRID 666893Notes

Reaction equation

[C:50]([CH3:51])([CH3:52])([CH3:53])[O:54][C:55]([CH:56]([NH:57][C:58]([c:59]1[cH:60][cH:61][c:62]([NH2:65])[cH:63][cH:64]1)=[O:66])[CH2:67][CH2:68][C:69](=[O:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75])=[O:76].[Cl:83][P:84]([Cl:85])[Cl:86].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH:21]([CH2:22][S:23][CH2:24][CH2:25][C:26](=[O:27])[OH:28])[CH2:29][O:30][C:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:77]1[cH:78][cH:79][n:80][cH:81][cH:82]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH:21]([CH2:22][S:23][CH2:24][CH2:25][C:26](=[O:27])[NH:65][c:62]2[cH:61][cH:60][c:59]([C:58]([NH:57][CH:56]([C:55]([O:54][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:76])[CH2:67][CH2:68][C:69](=[O:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75])=[O:66])[cH:64][cH:63]2)[CH2:29][O:30][C:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 4

HCID 1049Pyridine

HCID 24387Phosphorus trichloride

HCID 11025266Ditert-butyl 2-[(4-aminobenzoyl)amino]pentanedioate

HCID 224186176,7-Bis(12-phenyldodecanoyloxy)-4-thiaheptanoic acid

Product 1

HCID 73109825Ditert-butyl 2-[[4-[3-[2,3-bis(12-phenyldodecanoyloxy)propylsulfanyl]propanoylamino]benzoyl]amino]pentanedioate

Sources & evidence

ORD record: ord-81d7d0def6ef4d1fa00bed1c4b66d429
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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