2-Methoxycarbonylamino-3-naphthalen-2-yl-propionic acid → Bes(4-NH2)-DL-N(iBu)Lys(1)-ol.MeOCO-DL-2Nal-(1)

HRID 177527Notes

Reaction equation

HRID 177527 reaction equation
[CH3:24][O:25][C:26](=[O:27])[NH:28][CH:29]([C:30](=[O:31])[OH:32])[CH2:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[cH:42][cH:43]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH2:21])[CH2:22][OH:23])[cH:6][cH:7]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:30]([CH:29]([NH:28][C:26]([O:25][CH3:24])=[O:27])[CH2:33][c:34]2[cH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[cH:42][cH:43]2)=[O:31])[CH2:22][OH:23])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 180090022-Methoxycarbonylamino-3-naphthalen-2-yl-propionic acidHCID 180090254-amino-N-(6-amino-1-hydroxyhexan-2-yl)-N-(2-methylpropyl)benzenesulfonamide

Product 1

HCID 67532271Bes(4-NH2)-DL-N(iBu)Lys(1)-ol.MeOCO-DL-2Nal-(1)

Sources & evidence

ORD record
ord-bc9fa7691d694197b5fbd768c3a0096b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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