Formic Acid → HCID 178435071, compound

HRID 687820Notes

Reaction equation

HRID 687820 reaction equation
[B-:16]([F:17])([F:18])([F:19])[F:20].[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]1[CH2:5][c:6]1[c:7]([C:12](=[O:13])[OH:14])[s:8][c:9]([CH3:11])[c:10]12.[CH:63]([OH:64])=[O:65].[ClH:47].[NH2:48][CH2:49][c:50]1[c:51]([Cl:57])[cH:52][c:53]([OH:56])[cH:54][cH:55]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]1[CH2:5][c:6]1[c:7]([C:12](=[O:14])[NH:48][CH2:49][c:50]3[c:51]([Cl:57])[cH:52][c:53]([OH:56])[cH:54][cH:55]3)[s:8][c:9]([CH3:11])[c:10]12

Participants

9

Reactant 8

HCID 284Formic AcidHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 404247054-(Aminomethyl)-3-chlorophenolHCID 578924403,3,9-Trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxylic acid

Product 1

HCID 178435071HCID 178435071, compound

Sources & evidence

ORD record
ord-7fb65ba11e31488abd169028f5ce7167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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