Glyoxylic Acid → 2-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(2-(3-cyanophenylcarbamoyloxy)ethyl)-3-ethylphenyl)acetic acid

HRID 1138834Notes

Reaction equation

HRID 1138834 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[O:12][CH2:13][CH2:14][c:15]2[c:16]([CH2:24][CH3:25])[cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1.[C:53]([CH:54]=[O:55])(=[O:56])[OH:57].[NH2:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][n:32][c:33]([N:37]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[c:34]2[cH:35][cH:36]1.[OH2:52]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[O:12][CH2:13][CH2:14][c:15]2[c:16]([CH2:24][CH3:25])[cH:17][c:18]([CH:54]([NH:26][c:27]3[cH:28][c:29]4[cH:30][cH:31][n:32][c:33]([N:37]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[c:34]4[cH:35][cH:36]3)[C:53](=[O:56])[OH:57])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1

Participants

5

Reactant 4

HCID 760Glyoxylic AcidHCID 962WaterHCID 58717298tert-butyl N-(6-aminoisoquinolin-1-yl)-N-[(tert-butoxy)carbonyl]carbamateHCID 68818193HCID 68818193, compound

Product 1

HCID 688174922-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(2-(3-cyanophenylcarbamoyloxy)ethyl)-3-ethylphenyl)acetic acid

Sources & evidence

ORD record
ord-2c5a37dd59144fcf9928b645a2b113eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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