Ammonium → HCID 178453154, compound

HRID 1149267Notes

Reaction equation

HRID 1149267 reaction equation
[CH3:54][OH:55].[CH:50]([O-:51])=[O:52].[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]([O:42][CH:43]4[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]4)[c:29]([C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH2:38][CH2:39][CH2:40][OH:41])[cH:30][cH:31]3)[cH:24][cH:25]2)[OH:49])[cH:6][n:7]1.[NH4+:53].[OH2:56]>>[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]([O:42][CH:43]4[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]4)[c:29]([C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH2:38][CH2:39][CH2:40][OH:41])[cH:30][cH:31]3)[cH:24][cH:25]2)[OH:49])[cH:6][n:7]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 962WaterHCID 178453153HCID 178453153, compound

Product 1

HCID 178453154HCID 178453154, compound

Sources & evidence

ORD record
ord-a0c9cff5aefb4f14b54eda2aa4664940
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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