1,2-Dichloroethane → HCID 72297353, compound

HRID 117702Notes

Reaction equation

HRID 117702 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:66]([Cl:67])[Cl:68].[CH3:62][C:63](=[O:64])[OH:65].[Cl:58][CH2:59][CH2:60][Cl:61].[F:9][c:10]1[cH:11][c:12]([CH2:13][N:14]([CH:15]2[c:16]3[c:17]([cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[c:24]([CH3:26])[cH:25]3)[NH:18][CH2:19][CH2:20][CH2:21]2)[c:31]2[n:32][n:33][n:34]([CH3:36])[n:35]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1.[Na+:57].[n:1]1[cH:2][cH:3][c:4]([CH:7]=[O:8])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][N:18]2[c:17]3[c:16]([cH:25][c:24]([CH3:26])[c:23]([C:27]([F:28])([F:29])[F:30])[cH:22]3)[CH:15]([N:14]([CH2:13][c:12]3[cH:11][c:10]([F:9])[cH:39][c:38]([C:40]([F:41])([F:42])[F:43])[cH:37]3)[c:31]3[n:32][n:33][n:34]([CH3:36])[n:35]3)[CH2:21][CH2:20][CH2:19]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 133894-PyridinecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 72297322HCID 72297322, compound

Product 1

HCID 72297353HCID 72297353, compound

Sources & evidence

ORD record
ord-704ff3228b5645b285e07377018d17df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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