Formic Acid → HCID 86614444, compound
Reaction equation
[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13]([C:16]([NH:17][c:18]2[cH:19][c:20]3[c:21](-[c:46]4[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]4)[n:22][n:23]([C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:24]3[cH:25][cH:26]2)=[O:53])([NH2:54])[CH2:14][CH2:15]1.[CH3:66][N:67]([c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1)[CH3:74].[CH:1](=[O:2])[OH:3].[Cl:55][c:56]1[n:57][c:58]([O:59][CH3:60])[n:61][c:62]([O:63][CH3:64])[n:65]1>>[CH:1](=[O:2])[NH:54][C:13]1([C:16]([NH:17][c:18]2[cH:19][c:20]3[c:21](-[c:46]4[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]4)[n:22][n:23]([C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:24]3[cH:25][cH:26]2)=[O:53])[CH2:12][N:11]([C:9]([O:8][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:10])[CH2:15][CH2:14]1Participants
5
Sources & evidence
- ORD record
- ord-43e858f55d6a40b98df66c9e872aa17b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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