Hydrochloric Acid → 2-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-N-(4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-nicotinamide

HRID 692710Notes

Reaction equation

HRID 692710 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21](=[O:22])[c:23]3[c:24]([NH:29][CH2:30][c:31]4[c:32]5[c:33]([n:34][cH:35][cH:36]4)[NH:37][CH2:38][CH2:39]5)[n:25][cH:26][cH:27][cH:28]3)[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[ClH:40].[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[NH:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21](=[O:22])[c:23]3[c:24]([NH:29][CH2:30][c:31]4[c:32]5[c:33]([n:34][cH:35][cH:36]4)[NH:37][CH2:38][CH2:39]5)[n:25][cH:26][cH:27][cH:28]3)[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 312751,4-DioxaneHCID 20773481tert-Butyl 7-[({2-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)amino]pyridin-3-yl}carbonyl)amino]-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 1

HCID 103878712-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-N-(4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-nicotinamide

Sources & evidence

ORD record
ord-93180902955b4ec397585cb5c2d4e8f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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