1,2-Dichloroethane → tert-butyl N-[1-(3,4-difluorophenyl)-4-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-oxobutan-2-yl]carbamate

HRID 665211Notes

Reaction equation

HRID 665211 reaction equation
[CH2:2]([CH3:3])[c:4]1[n:5][n:6][c:7]2[n:8]1[CH2:9][CH2:10][NH:11][CH2:12]2.[CH2:54]([Cl:55])[CH2:56][Cl:57].[CH3:13][C:14]([CH3:15])([O:16][C:17](=[O:18])[NH:19][CH:20]([CH2:21][C:22](=[O:23])[OH:24])[CH2:25][c:26]1[cH:27][c:28]([F:33])[c:29]([F:32])[cH:30][cH:31]1)[CH3:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:58][CH2:59][Cl:60].[ClH:1].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[CH2:2]([CH3:3])[c:4]1[n:5][n:6][c:7]2[n:8]1[CH2:9][CH2:10][N:11]([C:22]([CH2:21][CH:20]([NH:19][C:17]([O:16][C:14]([CH3:13])([CH3:15])[CH3:34])=[O:18])[CH2:25][c:26]1[cH:27][c:28]([F:33])[c:29]([F:32])[cH:30][cH:31]1)=[O:23])[CH2:12]2

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 219112153-(Boc-amino)-4-(3,4-difluorophenyl)butyric AcidHCID 450883133-ethyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine

Product 1

HCID 72763128tert-butyl N-[1-(3,4-difluorophenyl)-4-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-9171d9618dfd4e6c8a7c6baadd5a6d05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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