Hydrochloric Acid → Tert-butyl 5-(6-(1-phenylcyclopropyl)-2-thioxo-1,2-dihydropyridin-3-ylcarbamoyl)isoindoline-2-carboxylate

HRID 1126787Notes

Reaction equation

HRID 1126787 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][c:27]2[cH:28][cH:29][c:30]([C:34](=[O:35])[OH:36])[cH:31][c:32]2[CH2:33]1.[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:60][OH:61].[ClH:48].[NH2:1][c:2]1[c:3](=[S:17])[nH:4][c:5]([C:8]2([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:37].[n:38]1([OH:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[NH:1]([c:2]1[c:3](=[S:17])[nH:4][c:5]([C:8]2([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1)[C:34]([c:30]1[cH:29][cH:28][c:27]2[c:32]([cH:31]1)[CH2:33][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:26]2)=[O:35]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 164501432-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acidHCID 591748363-amino-6-(1-phenylcyclopropyl)pyridine-2(1H)-thione

Product 1

HCID 86638729Tert-butyl 5-(6-(1-phenylcyclopropyl)-2-thioxo-1,2-dihydropyridin-3-ylcarbamoyl)isoindoline-2-carboxylate

Sources & evidence

ORD record
ord-29a14252a8694e8dbeb11b48b0b15600
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…