Ammonium → HCID 76698153, compound

HRID 310776Notes

Reaction equation

HRID 310776 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:21]3[c:22]([F:39])[c:23]([NH:27][S:28](=[O:29])(=[O:30])[c:31]4[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]4)[cH:24][cH:25][cH:26]3)[n:10][c:11]([N:13]3[CH2:14][CH:15]([CH3:20])[O:16][CH:17]([CH3:19])[CH2:18]3)[s:12]2)[n:7]1.[NH4+:41].[OH-:40]>>[c:2]1([NH2:41])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:21]3[c:22]([F:39])[c:23]([NH:27][S:28](=[O:29])(=[O:30])[c:31]4[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]4)[cH:24][cH:25][cH:26]3)[n:10][c:11]([N:13]3[CH2:14][CH:15]([CH3:20])[O:16][CH:17]([CH3:19])[CH2:18]3)[s:12]2)[n:7]1

Participants

5

Reactant 4

HCID 223AmmoniumHCID 961HydroxideHCID 312751,4-DioxaneHCID 76698150HCID 76698150, compound

Product 1

HCID 76698153HCID 76698153, compound

Sources & evidence

ORD record
ord-773e6d60de534901be871db383b8b994
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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