1,2-Dichloroethane → HCID 77211965, compound

HRID 2315618Notes

Reaction equation

HRID 2315618 reaction equation
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Cl:22][CH2:23][CH2:24][CH2:25][C:26]([C:27](=[O:28])[OH:29])=[CH:30][c:31]1[cH:32][c:33]([O:43][CH3:44])[c:34](-[n:37]2[cH:38][n:39][c:40]([CH3:42])[cH:41]2)[cH:35][cH:36]1.[F:15][C:16]([F:17])([F:18])[C:19]([OH:20])=[O:21].[O:45]1[CH2:46][CH2:47][N:48]([c:51]2[cH:52][cH:53][c:54]3[c:59]([cH:60]2)[CH:58]([NH2:61])[CH2:57][CH2:56][CH2:55]3)[CH2:49][CH2:50]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:73].[OH:5][n:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[n:13][n:14]1>>[Cl:22][CH2:23][CH2:24][CH2:25][C:26]([C:27](=[O:29])[NH:61][CH:58]1[CH2:57][CH2:56][CH2:55][c:54]2[cH:53][cH:52][c:51]([N:48]3[CH2:47][CH2:46][O:45][CH2:50][CH2:49]3)[cH:60][c:59]21)=[CH:30][c:31]1[cH:32][c:33]([O:43][CH3:44])[c:34](-[n:37]2[cH:38][n:39][c:40]([CH3:42])[cH:41]2)[cH:35][cH:36]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acidHCID 66961235HCID 66961235, compound

Product 1

HCID 77211965HCID 77211965, compound

Sources & evidence

ORD record
ord-a862b506ac6648eb8859319f9f8667e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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