Water → HCID 67999060, compound

HRID 159074Notes

Reaction equation

HRID 159074 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[OH:37].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:38][N+:39]1([O-:40])[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:27])([CH2:28][C:29](=[O:30])[OH:31])[C:11](=[O:26])[N:12]([CH:21]3[CH:22]=[CH:23][CH2:24][CH2:25]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[OH2:32]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:27])([CH2:28][C:29](=[O:30])[OH:31])[C:11](=[O:26])[N:12]([CH:21]3[CH:22]([OH:37])[CH:23]([OH:32])[CH2:24][CH2:25]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 82029Methyl morpholine oxideHCID 76834449HCID 76834449, compound

Product 1

HCID 67999060HCID 67999060, compound

Sources & evidence

ORD record
ord-739b05f40e7445069cc98dd000ff1d89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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