1,2-Dichloroethane → HCID 77211887, compound

HRID 1150505Notes

Reaction equation

HRID 1150505 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:31][O:32][c:33]1[cH:34][cH:35][c:36]2[c:40]([cH:41]1)[CH:39]([NH2:42])[CH2:38][CH2:37]2.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:14])[OH:15])=[CH:16][c:17]1[cH:18][c:19]([O:29][CH3:30])[c:20](-[n:23]2[cH:24][n:25][c:26]([CH3:28])[cH:27]2)[cH:21][cH:22]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:57].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[Cl:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:15])[NH:42][CH:39]1[CH2:38][CH2:37][c:36]2[cH:35][cH:34][c:33]([O:32][CH3:31])[cH:41][c:40]21)=[CH:16][c:17]1[cH:18][c:19]([O:29][CH3:30])[c:20](-[n:23]2[cH:24][n:25][c:26]([CH3:28])[cH:27]2)[cH:21][cH:22]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 99204636-Methoxy-1-IndanamineHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid

Product 1

HCID 77211887HCID 77211887, compound

Sources & evidence

ORD record
ord-903d23833a254a81865290ba13db220d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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