Acetic Acid → HCID 10256060, compound

HRID 2311047Notes

Reaction equation

HRID 2311047 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].[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH3:54][C:55](=[O:56])[OH:57].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:7](=[O:8])[c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]3[n:18][cH:19][c:20]([C:38]#[N:39])[c:21]([NH:24][c:25]4[cH:26][cH:27][c:28]([O:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:29][cH:30]4)[c:22]3[s:23]2)[cH:13][cH:14]1.[Cl:58][CH2:59][Cl:60].[Na+:53]>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:7][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]3[n:18][cH:19][c:20]([C:38]#[N:39])[c:21]([NH:24][c:25]4[cH:26][cH:27][c:28]([O:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:29][cH:30]4)[c:22]3[s:23]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 10343583HCID 10343583, compound

Product 1

HCID 10256060HCID 10256060, compound

Sources & evidence

ORD record
ord-9a1964ca6573408cac12cb0b63c79dc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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