Water → HCID 13883697, compound

HRID 2347654Notes

Reaction equation

HRID 2347654 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([Cl:16])[cH:11][c:12]([NH2:13])[cH:14][cH:15]2)[n:6][n:7]1.[N+:17](=[O:18])([O-:19])[c:20]1[c:21]([C:22](=[O:23])[N:24]=[C:25]=[O:26])[cH:27][cH:28][c:29]([N+:31](=[O:32])[O-:33])[cH:30]1.[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[OH2:34]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([Cl:16])[cH:11][c:12]([NH:13][C:25]([NH:24][C:22]([c:21]3[c:20]([N+:17](=[O:18])[O-:19])[cH:30][c:29]([N+:31](=[O:32])[O-:33])[cH:28][cH:27]3)=[O:23])=[O:26])[cH:14][cH:15]2)[n:6][n:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 312751,4-DioxaneHCID 136491812,4-Dinitrobenzoyl isocyanateHCID 13883683HCID 13883683, compound

Product 1

HCID 13883697HCID 13883697, compound

Sources & evidence

ORD record
ord-9db8e0d6d98c4dc89e6d860b8197442c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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