1,2-Dichloroethane → HCID 66960945, compound

HRID 1541312Notes

Reaction equation

HRID 1541312 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:64]([Cl:65])[CH2:66][Cl:67].[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.[ClH:31].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:32][CH:33]1[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[CH2:41]1.[Na+:57].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:52].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[Cl:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:15])[NH:32][CH:33]1[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[CH2:41]1)=[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

12

Reactant 11

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 763102-AminoindaneHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid

Product 1

HCID 66960945HCID 66960945, compound

Sources & evidence

ORD record
ord-7f8dc7b1f2374798a12da3b81cafc9bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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