1,2-Dichloroethane → HCID 58012133, compound

HRID 1545589Notes

Reaction equation

HRID 1545589 reaction equation
[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[n:29][n:30]([CH2:37][C:38](=[O:39])[OH:40])[c:31](=[O:36])[n:32]2[CH:33]2[CH2:34][CH2:35]2)[cH:26][cH:27]1.[Cl:2][c:3]1[cH:4][c:5]([C:9]2([NH2:13])[CH2:10][CH2:11][CH2:12]2)[cH:6][cH:7][cH:8]1.[ClH:1].[ClH:55].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[Cl:2][c:3]1[cH:4][c:5]([C:9]2([NH:13][C:38]([CH2:37][n:30]3[n:29][c:28](-[c:25]4[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]4)[n:32]([CH:33]4[CH2:34][CH2:35]4)[c:31]3=[O:36])=[O:39])[CH2:10][CH2:11][CH2:12]2)[cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 686817HCID 686817, compoundHCID 42632357[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid

Product 1

HCID 58012133HCID 58012133, compound

Sources & evidence

ORD record
ord-4516579d6f814457827af18615495aa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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