Acetic Acid → HCID 5330073, compound

HRID 1137595Notes

Reaction equation

HRID 1137595 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:55][C:56](=[O:57])[OH:58].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH:8](=[O:9])[c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][c:18]3[n:19][cH:20][c:21]([C:39]#[N:40])[c:22]([NH:25][c:26]4[cH:27][cH:28][c:29]([O:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[cH:30][cH:31]4)[c:23]3[s:24]2)[cH:14][cH:15]1.[Cl:59][CH2:60][Cl:61].[Na+:54]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][c:18]4[n:19][cH:20][c:21]([C:39]#[N:40])[c:22]([NH:25][c:26]5[cH:27][cH:28][c:29]([O:32][c:33]6[cH:34][cH:35][cH:36][cH:37][cH:38]6)[cH:30][cH:31]5)[c:23]4[s:24]3)[cH:14][cH:15]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 10343583HCID 10343583, compound

Product 1

HCID 5330073HCID 5330073, compound

Sources & evidence

ORD record
ord-614eb8524f2e400db82ca855750a69bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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