Potassium Cation → 2-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid methyl ester

HRID 2318008Notes

Reaction equation

HRID 2318008 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH3:32][O:33][C:34](=[O:35])[CH:36]1[NH:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[CH2:45]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:54][CH2:55][Cl:56].[I-:53].[K+:50].[K+:51].[K+:52].[OH2:57].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][CH2:18][OH:19]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][CH2:18][N:37]1[CH:36]([C:34]([O:33][CH3:32])=[O:35])[CH2:45][c:44]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[CH2:38]1

Participants

11

Reactant 10

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 4685119Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylateHCID 110214143-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propanol

Product 1

HCID 544781902-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-f083774d1acd493b81a81acbaa8d1382
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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