1,2-Dichloroethane → HCID 178444148, compound

HRID 2349027Notes

Reaction equation

HRID 2349027 reaction equation
[CH2:44]([Cl:45])[CH2:46][Cl:47].[CH3:25][C:26]([CH2:27][O:28][C:29](=[O:30])[NH:31][CH:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37](=[O:38])[OH:39])([CH2:40][CH:41]=[CH2:42])[CH3:43].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH:2](=[CH2:3])[c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][N:7]([C:13](=[O:14])[O:15][CH:16]1[CH2:17][NH:18][CH:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:20]1)[CH2:6]2.[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[ClH:1].[Na+:82].[O-:78][C:79]([OH:80])=[O:81].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[CH:2](=[CH2:3])[c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][N:7]([C:13](=[O:14])[O:15][CH:16]1[CH2:17][N:18]([C:37]([CH:32]([NH:31][C:29]([O:28][CH2:27][C:26]([CH3:25])([CH2:40][CH:41]=[CH2:42])[CH3:43])=[O:30])[C:33]([CH3:34])([CH3:35])[CH3:36])=[O:38])[CH:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:20]1)[CH2:6]2

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 66826960(5-Methoxycarbonylpyrrolidin-3-yl) 4-ethenyl-1,3-dihydroisoindole-2-carboxylateHCID 765344402-(2,2-Dimethylpent-4-enoxycarbonylamino)-3,3-dimethylbutanoic acid

Product 1

HCID 178444148HCID 178444148, compound

Sources & evidence

ORD record
ord-08737fc623dc4ffe85b8de63e47a39d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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