Acetic Acid → HCID 178473761, compound

HRID 2161773Notes

Reaction equation

HRID 2161773 reaction equation
[CH2:1]1[NH:2][CH2:3][CH2:4][c:5]2[cH:6][c:7]([NH:11][C:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)=[C:19]3[C:20](=[O:31])[NH:21][c:22]4[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][c:27]43)[cH:8][cH:9][c:10]21.[CH3:33][C:34](=[O:35])[O:36][C:37](=[O:38])[CH3:39].[CH3:49][C:50](=[O:51])[OH:52].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:32].[OH2:53]>>[CH2:1]1[N:2]([C:34]([CH3:33])=[O:35])[CH2:3][CH2:4][c:5]2[cH:6][c:7]([NH:11][C:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)=[C:19]3[C:20](=[O:31])[NH:21][c:22]4[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][c:27]43)[cH:8][cH:9][c:10]21

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 7918Acetic AnhydrideHCID 81531DiisopropylethylamineHCID 178517245HCID 178517245, compound

Product 1

HCID 178473761HCID 178473761, compound

Sources & evidence

ORD record
ord-7796200e05cf404da0756f550295e7cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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