Hydrochloric Acid → HCID 57542280, compound

HRID 164565Notes

Reaction equation

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

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 57542726Tert-butyl 4-(2-((6-(2-cyanophenyl)-2-(3-fluorophenethylamino)nicotinamido)methyl)pyrrolidin-1-yl)-4-oxobutylcarbamate

Product 1

HCID 57542280HCID 57542280, compound

Sources & evidence

ORD record: ord-c5379fe57f4c4e84b18909bbac605c79
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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