Hydrochloric Acid → tert-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

HRID 2333092Notes

Reaction equation

HRID 2333092 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21](=[O:22])[c:23]3[c:24]([F:29])[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.[ClH:30].[ClH:31].[NH:32]1[CH2:33][CH2:34][c:35]2[c:36]1[n:37][cH:38][cH:39][c:40]2[CH2:41][NH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21](=[O:22])[c:23]3[c:24]([NH:42][CH2:41][c:40]4[c:35]5[c:36]([n:37][cH:38][cH:39]4)[NH:32][CH2:33][CH2:34]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

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 219595167-[(2-fluoro-pyridine-3-carbonyl)-amino]-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl esterHCID 219614242,3-dihydro-1H-Pyrrolo[2,3-b]pyridine-4-methanamine

Product 1

HCID 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

Sources & evidence

ORD record
ord-9de91a6bc39e433094ef0cbddd189427
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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