1,2-Dichloroethane → 6-{3-[4-(Thiazole-2-carbonyl)-piperazin-1-yl]-azetidine-1-carbonyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HRID 281524Notes

Reaction equation

HRID 281524 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][c:27]2[cH:28][cH:29][c:30]([C:35](=[O:36])[OH:37])[cH:31][c:32]2[CH2:33][CH2:34]1.[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][CH2:50][Cl:51].[NH:1]1[CH2:2][CH:3]([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[s:14][cH:15][cH:16][n:17]3)[CH2:9][CH2:10]2)[CH2:4]1>>[N:1]1([C:35]([c:30]2[cH:29][cH:28][c:27]3[c:32]([cH:31]2)[CH2:33][CH2:34][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:26]3)=[O:36])[CH2:2][CH:3]([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[s:14][cH:15][cH:16][n:17]3)[CH2:9][CH2:10]2)[CH2:4]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 113578872-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acidHCID 59625677(4-(Azetidin-3-yl)piperazin-1-yl)(thiazol-2-yl)methanone

Product 1

HCID 596257276-{3-[4-(Thiazole-2-carbonyl)-piperazin-1-yl]-azetidine-1-carbonyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-85da464967d04e6ba09c60ce3d6e17e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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