Ammonium → HCID 86614438, compound

HRID 146047Notes

Reaction equation

HRID 146047 reaction equation
[CH3:58][OH:59].[CH:1]([O-:2])=[O:3].[F:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][n:14]([C:39]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[c:15]3[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[C:24]4([CH:36]([CH3:37])[OH:38])[CH2:25][N:26]([CH2:29][c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[CH2:27][CH2:28]4)[cH:19][c:20]23)[cH:10][cH:11]1.[NH4+:4]>>[F:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][n:14]([C:39]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[c:15]3[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[C:24]4([CH:36]([CH3:37])[OH:38])[CH2:25][NH:26][CH2:27][CH2:28]4)[cH:19][c:20]23)[cH:10][cH:11]1

Participants

5

Sources & evidence

ORD record
ord-5f4c7b118dbd40a38d14360a2a0e5580
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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