1,2-Dichloroethane → HCID 59514536, compound

HRID 110566Notes

Reaction equation

HRID 110566 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].[CH3:40][C:41](=[O:42])[OH:43].[CH:32]1([CH:38]=[O:39])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:60][CH2:61][CH2:62][Cl:63].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([N:19]([CH3:20])[CH2:21][C:22](=[O:23])[NH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[c:10]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[c:11]([Cl:13])[n:12]2)[cH:30][cH:31]1.[Na+:57].[Na+:59].[OH-:58].[OH2:64]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([N:19]([CH3:20])[CH2:21][C:22](=[O:23])[NH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[c:10]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[c:11]([Cl:13])[n:12]2)[cH:30][cH:31]1)[CH2:38][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 16275CyclohexanecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 59514491HCID 59514491, compound

Product 1

HCID 59514536HCID 59514536, compound

Sources & evidence

ORD record
ord-cd97f6221f4944cbae3cbf5462560b3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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