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

HRID 147840Notes

Reaction equation

HRID 147840 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]([O:24][CH2:25][CH3:26])[cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1.[C:54]([CH:55]=[O:56])(=[O:57])[OH:58].[NH2:27][c:28]1[cH:29][c:30]2[cH:31][cH:32][n:33][c:34]([N:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[c:35]2[cH:36][cH:37]1.[OH2:53]>>[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]([O:24][CH2:25][CH3:26])[cH:17][c:18]([CH:55]([NH:27][c:28]3[cH:29][c:30]4[cH:31][cH:32][n:33][c:34]([N:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[c:35]4[cH:36][cH:37]3)[C:54](=[O:57])[OH:58])[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 68815689HCID 68815689, compound

Product 1

HCID 578426412-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(2-(3-cyanophenylcarbamoyloxy)ethyl)-3-ethoxyphenyl)acetic acid

Sources & evidence

ORD record
ord-446bc92d3e204f80b672cf1fc8913e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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