Acetic Acid → HCID 44555146, compound

HRID 1138572Notes

Reaction equation

HRID 1138572 reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH2:41]=[O:42].[CH3:43][C:44](=[O:45])[OH:46].[CH3:64][OH:65].[Cl:1][c:2]1[c:3]([CH:15]([CH3:16])[O:17][c:18]2[c:19]([C:38](=[O:39])[NH2:40])[s:20][c:21](-[n:23]3[cH:24][n:25][c:26]4[c:27]3[cH:28][cH:29][c:30](-[c:32]3[cH:33][n:34][n:35]([CH3:37])[cH:36]3)[cH:31]4)[cH:22]2)[cH:4][cH:5][cH:6][c:7]1[O:8][CH:9]1[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]1.[Cl:61][CH2:62][Cl:63].[Na+:60]>>[Cl:1][c:2]1[c:3]([CH:15]([CH3:16])[O:17][c:18]2[c:19]([C:38](=[O:39])[NH2:40])[s:20][c:21](-[n:23]3[cH:24][n:25][c:26]4[c:27]3[cH:28][cH:29][c:30](-[c:32]3[cH:33][n:34][n:35]([CH3:37])[cH:36]3)[cH:31]4)[cH:22]2)[cH:4][cH:5][cH:6][c:7]1[O:8][CH:9]1[CH2:10][CH2:11][N:12]([CH3:43])[CH2:13][CH2:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 68572258HCID 68572258, compound

Product 1

HCID 44555146HCID 44555146, compound

Sources & evidence

ORD record
ord-316a706bb9354a86a51ac3898f0933df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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