Ethanol → HCID 22890458, compound

HRID 160449Notes

Reaction equation

HRID 160449 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([N+:39](=[O:40])[O-:41])[c:12]([CH:17]([CH2:18][N:19]2[C:20](=[O:21])[c:22]3[c:23]([cH:24][cH:25][cH:26][cH:27]3)[C:28]2=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]2)[cH:13][c:14]1[O:15][CH3:16].[CH3:45][CH2:46][OH:47].[NH2:43][NH2:44].[OH2:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([N+:39](=[O:40])[O-:41])[c:12]([CH:17]([CH2:18][NH2:19])[NH:30][c:31]2[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]2)[cH:13][c:14]1[O:15][CH3:16]

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 9321HydrazineHCID 22351312HCID 22351312, compound

Product 1

HCID 22890458HCID 22890458, compound

Sources & evidence

ORD record
ord-48a74e6c1f4241d9bb5561e2b6716930
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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