Ammonium → HCID 178456719, compound

HRID 1553257Notes

Reaction equation

HRID 1553257 reaction equation
[CH3:48][OH:49].[CH:44]([O-:45])=[O:46].[CH:51]([Cl:52])([Cl:53])[Cl:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][c:28]([NH:39][CH:40]([CH3:41])[CH3:42])[c:29]([C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:30][cH:31]3)[cH:24][cH:25]2)[OH:43])[cH:6][n:7]1.[NH4+:47].[OH2:50]>>[cH:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][c:28]([NH:39][CH:40]([CH3:41])[CH3:42])[c:29]([C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:30][cH:31]3)[cH:24][cH:25]2)[OH:43])[cH:6][n:7]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 962WaterHCID 6212ChloroformHCID 178456718HCID 178456718, compound

Product 1

HCID 178456719HCID 178456719, compound

Sources & evidence

ORD record
ord-9173ab6b8d554b109ad0a01863ea5da9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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