Ammonium → HCID 178515402, compound

HRID 118574Notes

Reaction equation

HRID 118574 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[n:6][n:7]2[c:8]([n:9][cH:10][cH:11][c:12]2[S:13][c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[n:22][n:23][c:24](-[c:31]4[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]34)[cH:18][cH:19]2)[cH:38]1.[CH3:43][OH:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:39]([O-:40])=[O:41].[NH4+:42]>>[OH:4][c:5]1[n:6][n:7]2[c:8]([n:9][cH:10][cH:11][c:12]2[S:13][c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[n:22][n:23][c:24](-[c:31]4[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]34)[cH:18][cH:19]2)[cH:38]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 8857Ethyl AcetateHCID 44232576HCID 44232576, compound

Product 1

HCID 178515402HCID 178515402, compound

Sources & evidence

ORD record
ord-fc968412f8ed403a993e8db538fe296d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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