1,2-Dichloroethane → HCID 178491536, compound

HRID 204781Notes

Reaction equation

HRID 204781 reaction equation
[C:53]([O:54][BH-:55]([O:56][C:57](=[O:58])[CH3:59])[O:60][C:61](=[O:62])[CH3:63])(=[O:64])[CH3:65].[C:67](=[O:68])([OH:69])[O-:70].[C:78]([OH:79])(=[O:80])[CH3:81].[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:40]1[c:41](=[O:52])[n:42]([CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[nH:43][c:44]1[CH3:45].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C:9]([CH:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[N:17]2[CH2:18][CH:19]([CH:28]=[O:29])[CH:20]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:21]2)=[O:30])[cH:31][cH:32]1.[CH3:76][OH:77].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[Cl:72][CH2:73][CH2:74][Cl:75].[Na+:66].[Na+:71]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C:9]([CH:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[N:17]2[CH2:18][CH:19]([CH2:28][N:49]3[CH2:48][CH2:47][CH:46]([n:42]4[c:41](=[O:52])[c:40]([CH2:33][c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[c:44]([CH3:45])[nH:43]4)[CH2:51][CH2:50]3)[CH:20]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:21]2)=[O:30])[cH:31][cH:32]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 18342657(4-Methoxyphenyl)methyl 2-cyclohexyl-2-(3-formyl-4-phenylpyrrolidin-1-yl)acetateHCID 211931254-(4-benzyl-5-methyl-1H-pyrazole-3(2H)-on-2-yl)-piperidine

Product 1

HCID 178491536HCID 178491536, compound

Sources & evidence

ORD record
ord-456e194b8fbe481f8719c9e60b5ca295
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…