1,2-Dichloroethane → HCID 23157486, compound

HRID 2319797Notes

Reaction equation

HRID 2319797 reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH3:46][C:47](=[O:48])[OH:49].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:64][CH2:65][CH2:66][Cl:67].[NH2:31][c:32]1[cH:33][c:34]([F:45])[c:35]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:36][cH:37]1.[Na+:63].[c:1]1(-[c:7]2[n:8][n:9]([CH2:18][c:19]3[c:20]([O:27][CH:28]([CH3:29])[CH3:30])[cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]3)[c:10](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9]([CH2:18][c:19]3[c:20]([O:27][CH:28]([CH3:29])[CH3:30])[cH:21][c:22]([CH2:23][NH:31][c:32]4[cH:33][c:34]([F:45])[c:35]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:36][cH:37]4)[cH:25][cH:26]3)[c:10](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 23157234Ethyl 3-(4-amino-2-fluorophenyl)propanoateHCID 23157293HCID 23157293, compound

Product 1

HCID 23157486HCID 23157486, compound

Sources & evidence

ORD record
ord-70cf38ccbfa5433f8169363776f6068c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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