Glyoxylic Acid → HCID 178472119, compound

HRID 139553Notes

Reaction equation

[C:68]([CH:69]=[O:70])(=[O:71])[OH:72].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:40])[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1.[NH2:41][c:42]1[cH:43][c:44]2[cH:45][cH:46][n:47][c:48]([N:52]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[c:49]2[cH:50][cH:51]1.[OH2:67]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:40])[cH:33][c:34]([CH:69]([NH:41][c:42]3[cH:43][c:44]4[cH:45][cH:46][n:47][c:48]([N:52]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[c:49]4[cH:50][cH:51]3)[C:68](=[O:71])[OH:72])[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1

Participants

Reactant 4

HCID 760Glyoxylic Acid

HCID 962Water

HCID 58717298tert-butyl N-(6-aminoisoquinolin-1-yl)-N-[(tert-butoxy)carbonyl]carbamate

HCID 68816240[4-[2-[[3-[3-Ethoxy-3-oxo-1-(phenylmethoxycarbonylamino)propyl]phenyl]carbamoyloxy]ethyl]-3-methylphenyl]boronic acid

Product 1

HCID 178472119HCID 178472119, compound

Sources & evidence

ORD record: ord-f9c70c6e14a94819a7e893ae6c9ad5ae
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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