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

HRID 212225Notes

Reaction equation

HRID 212225 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][cH:38][cH: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][cH:38][cH: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 600537294,4-dimethyl-7-({2-[(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-pyridine-3-carbonyl}-amino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Product 1

HCID 10025493N-(4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-2-[(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-nicotinamide

Sources & evidence

ORD record
ord-8a78ed42c92e4be0ae864b330e18b793
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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