1,2-Dichloroethane → HCID 10164010, compound

HRID 682689Notes

Reaction equation

HRID 682689 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][CH2:12][CH:13]([CH2:16][C:17](=[O:18])[OH:19])[CH2:14][CH2:15]2)[cH:8][cH:9]1.[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[ClH:20].[ClH:21].[ClH:42].[NH2:22][CH:23]1[CH2:24][CH2:25][N:26]([CH2:29][c:30]2[cH:31][c:32]([Cl:37])[c:33]([Cl:36])[cH:34][cH:35]2)[CH2:27][CH2:28]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][CH2:12][CH:13]([CH2:16][C:17](=[O:19])[NH:22][CH:23]3[CH2:24][CH2:25][N:26]([CH2:29][c:30]4[cH:31][c:32]([Cl:37])[c:33]([Cl:36])[cH:34][cH:35]4)[CH2:27][CH2:28]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid3×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 109781561-[(3,4-Dichlorophenyl)methyl]piperidin-4-amineHCID 21937133HCID 21937133, compound

Product 1

HCID 10164010HCID 10164010, compound

Sources & evidence

ORD record
ord-72d43dcfe92741038ae155f64e064f46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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