Hydrochloric Acid → prop-2-enyl 4-[5-(4-fluorophenyl)-4-[2-(1-phenylethylamino)-4-pyridinyl]-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

HRID 1208012Notes

Reaction equation

HRID 1208012 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][C:10]([c:13]2[c:14](-[c:25]3[cH:26][c:27]([F:31])[n:28][cH:29][cH:30]3)[c:15](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[nH:16][cH:17]2)=[CH:11][CH2:12]1.[ClH:41].[Na+:42].[OH:43][C:44](=[O:45])[O-:46].[c:32]1([CH:38]([CH3:39])[NH2:40])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][C:10]([c:13]2[c:14](-[c:25]3[cH:26][c:27]([NH:40][CH:38]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH3:39])[n:28][cH:29][cH:30]3)[c:15](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[nH:16][cH:17]2)=[CH:11][CH2:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 74081-PhenethylamineHCID 219226854-(1-Allyloxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl]-2-(4-fluorophenyl)-3-(2-fluoropyridin-4-yl)-1H-pyrrole

Product 1

HCID 21922668prop-2-enyl 4-[5-(4-fluorophenyl)-4-[2-(1-phenylethylamino)-4-pyridinyl]-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Sources & evidence

ORD record
ord-c59056e10d40418998025ac5ac4a72ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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