1,2-Dichloroethane → HCID 178522661, compound

HRID 184277Notes

Reaction equation

HRID 184277 reaction equation
[CH2:68]([Cl:69])[CH2:70][Cl:71].[CH3:64][C:65]#[N:66].[CH:1]1([n:7]2[n:8][c:9](-[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[cH:10][c:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[NH2:44][c:45]1[n:46][n:47][n:48][nH:49]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:43].[OH2:67].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[CH:1]1([n:7]2[n:8][c:9](-[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[cH:10][c:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:44][c:45]3[n:46][n:47][n:48][nH:49]3)[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 962Water2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 67335127HCID 67335127, compoundHCID 178509299HCID 178509299, compound

Product 1

HCID 178522661HCID 178522661, compound

Sources & evidence

ORD record
ord-8f724cfed7d04cd2801a9da003d5521c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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