Acetic Acid → HCID 178463320, compound

HRID 1152537Notes

Reaction equation

HRID 1152537 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:53]([N+:54]([CH2:55][CH3:56])([CH2:57][CH3:58])[CH2:59][CH3:60])[CH3:61].[CH3:4][C:5](=[O:6])[OH:7].[CH:1]([CH3:2])=[O:3].[Cl:62][CH2:63][Cl:64].[NH2:8][CH:9]1[CH2:10][N:11]([C:15]([CH:16]([CH3:17])[N:18]2[C:19](=[O:38])[CH:20]([NH:23][S:24](=[O:25])(=[O:26])[c:27]3[cH:28][c:29]4[cH:30][cH:31][c:32]([Cl:37])[cH:33][c:34]4[cH:35][cH:36]3)[CH2:21][CH2:22]2)=[O:39])[CH2:12][CH2:13][CH2:14]1>>[CH2:1]([CH3:2])[NH:8][CH:9]1[CH2:10][N:11]([C:15]([CH:16]([CH3:17])[N:18]2[C:19](=[O:38])[CH:20]([NH:23][S:24](=[O:25])(=[O:26])[c:27]3[cH:28][c:29]4[cH:30][cH:31][c:32]([Cl:37])[cH:33][c:34]4[cH:35][cH:36]3)[CH2:21][CH2:22]2)=[O:39])[CH2:12][CH2:13][CH2:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 5413TetraethylammoniumHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 178459960HCID 178459960, compound

Product 1

HCID 178463320HCID 178463320, compound

Sources & evidence

ORD record
ord-bc7faba5f3504c3d97b9f1f41d770429
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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