Acetic Acid → HCID 70872522, compound

HRID 2321595Notes

Reaction equation

HRID 2321595 reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH2:38]1[CH2:39][O:40][CH2:41][CH2:42][NH:43]1.[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:30]3[cH:31][c:32]([CH:36]=[O:37])[cH:33][cH:34][cH:35]3)[cH:17][c:18]([N:21]([CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[CH2:28][CH3:29])[c:19]2[CH3:20])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:44][C:45](=[O:46])[OH:47].[Cl:62][CH:63]([Cl:64])[CH3:65].[Cl:66][CH2:67][Cl:68].[Na+:61]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:30]3[cH:31][c:32]([CH2:36][N:43]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:33][cH:34][cH:35]3)[cH:17][c:18]([N:21]([CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[CH2:28][CH3:29])[c:19]2[CH3:20])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 86672656HCID 86672656, compound

Product 1

HCID 70872522HCID 70872522, compound

Sources & evidence

ORD record
ord-ee3031e5470b49deab805cd68359832c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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