Ammonium → HCID 178437508, compound

HRID 196799Notes

Reaction equation

[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:61][CH3:62])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([F:60])[c:37](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH:47]6[CH2:48][N:49]([C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[CH:50]([CH2:51]5)[CH2:52]6)[cH:42][cH:43][cH:44]4)[cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[Cl:72][CH2:73][Cl:74].[NH4+:70].[OH-:71].[OH:63][C:64]([C:65]([F:66])([F:67])[F:68])=[O:69]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:61][CH3:62])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([F:60])[c:37](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH:47]6[CH2:48][NH:49][CH:50]([CH2:51]5)[CH2:52]6)[cH:42][cH:43][cH:44]4)[cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

Reactant 6

HCID 223Ammonium

HCID 961Hydroxide

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 8857Ethyl Acetate

HCID 178437510HCID 178437510, compound

Product 1

HCID 178437508HCID 178437508, compound

Sources & evidence

ORD record: ord-704bd5b7bfce4720b939e77a0cf67ea6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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