Acetic Acid → HCID 69662766, compound

HRID 694997Notes

Reaction equation

HRID 694997 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:34][C:35](=[O:36])[OH:37].[Cl:52][CH:53]([Cl:54])[CH3:55].[Cl:56][CH2:57][Cl:58].[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[n:6][c:7]([CH3:27])[n:8][c:9]2[cH:10][c:11]3[c:12](-[c:18]4[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]4[CH3:24])[cH:13][cH:14][cH:15][n:16]3[c:17]12.[Na+:51].[O:28]=[C:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[NH:1]([CH2:2][CH2:3][NH:4][c:5]1[n:6][c:7]([CH3:27])[n:8][c:9]2[cH:10][c:11]3[c:12](-[c:18]4[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]4[CH3:24])[cH:13][cH:14][cH:15][n:16]3[c:17]12)[CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 8452CyclopentanoneHCID 2724942TriacetoxyborohydrideHCID 69662159HCID 69662159, compound

Product 1

HCID 69662766HCID 69662766, compound

Sources & evidence

ORD record
ord-d7dac494938b49c8928b3b5a77121128
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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