Acetic Acid → HCID 21925576, compound

HRID 662356Notes

Reaction equation

HRID 662356 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:54][C:55](=[O:56])[OH:57].[Cl:15][c:16]1[cH:17][c:18]2[c:19]([cH:40][cH:41]1)-[n:20]1[c:21]([CH:28]3[CH2:29][CH2:30][N:31]([c:34]4[n:35][cH:36][cH:37][cH:38][n:39]4)[CH2:32][CH2:33]3)[n:22][n:23][c:24]1[CH2:25][NH:26][CH2:27]2.[Cl:51][CH2:52][Cl:53].[NH3:50].[Na+:14].[n:42]1[c:43]([CH:48]=[O:49])[cH:44][cH:45][cH:46][cH:47]1>>[Cl:15][c:16]1[cH:17][c:18]2[c:19]([cH:40][cH:41]1)-[n:20]1[c:21]([CH:28]3[CH2:29][CH2:30][N:31]([c:34]4[n:35][cH:36][cH:37][cH:38][n:39]4)[CH2:32][CH2:33]3)[n:22][n:23][c:24]1[CH2:25][N:26]([CH2:48][c:43]1[n:42][cH:47][cH:46][cH:45][cH:44]1)[CH2:27]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 222AmmoniaHCID 923Sodium ionHCID 6344DichloromethaneHCID 142732-PyridinecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 21925629HCID 21925629, compound

Product 1

HCID 21925576HCID 21925576, compound

Sources & evidence

ORD record
ord-3a696c62388d4f4eb0ebcee2be3866f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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