1,2-Dichloroethane → HCID 21180753, compound

HRID 100776Notes

Reaction equation

HRID 100776 reaction equation
[C:58]([O:59][BH-:60]([O:61][C:62](=[O:63])[CH3:64])[O:65][C:66](=[O:67])[CH3:68])(=[O:69])[CH3:70].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[Cl:72][CH2:73][CH2:74][Cl:75].[F:41][C:42]([CH2:43][CH2:44][CH:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1)([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[F:57].[NH:1]1[O:2][N:3]([CH2:4][CH2:5][CH2:6][CH:7]2[CH2:8][CH2:9][N:10]([CH2:15][CH:16]3[CH2:17][N:18]([CH:27]([C:28](=[O:29])[OH:30])[CH:31]4[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]4)[CH2:19][CH:20]3[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:11][CH2:12]2)[c:13]2[cH:14][cH:37][cH:38][cH:39][c:40]21.[Na+:71]>>[CH2:15]([CH:16]1[CH2:17][N:18]([CH:27]([C:28](=[O:29])[OH:30])[CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH2:19][CH:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:48]1[CH2:47][CH2:46][CH:45]([CH2:44][CH2:43][C:42]([F:41])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[F:57])[CH2:50][CH2:49]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 18187489HCID 18187489, compoundHCID 70243669HCID 70243669, compound

Product 1

HCID 21180753HCID 21180753, compound

Sources & evidence

ORD record
ord-e1cc48e1487c447b9d25cc0622eee094
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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