Toluene → 5-(4-tert-butoxycarbonylamino-pyridin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HRID 1549407Notes

Reaction equation

HRID 1549407 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([Sn:14]([CH2:15][CH2:16][CH2:17][CH3:18])([CH2:19][CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH3:26])[cH:10][n:11][cH:12][cH:13]1)=[O:27].[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][c:37]2[cH:38][cH:39][cH:40][c:41]([Br:45])[c:42]2[CH2:43][CH2:44]1.[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH:46]1([PH:47][c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9](-[c:41]2[cH:40][cH:39][cH:38][c:37]3[c:42]2[CH2:43][CH2:44][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:36]3)[cH:10][n:11][cH:12][cH:13]1)=[O:27]

Participants

5

Reactant 4

HCID 1140TolueneHCID 18315369tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylateHCID 219836302-(Cyclohexylphosphino)biphenylHCID 69595531(3-Tributylstannyl-pyridin-4-yl)-carbamic acid tert-butyl ester

Product 1

HCID 695955295-(4-tert-butoxycarbonylamino-pyridin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b3f362ccd64849aea9d232d6f089ec0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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