Quinaldic Acid → HCID 178449285, compound

Reaction equation

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

Participants

Reactant 3

HCID 7124Quinaldic Acid

HCID 8028Tetrahydrofuran

HCID 178449288HCID 178449288, compound

Product 1

HCID 178449285HCID 178449285, compound

Sources & evidence

ORD record: ord-b1972bbf8f3a4cb0a5d829f0a464298b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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