Formic Acid → HCID 15383547, compound

HRID 691210Notes

Reaction equation

HRID 691210 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:1]1([c:4]2[n:5][c:6]3[c:7]([n:8][cH:9][c:10]([Br:13])[c:11]3[CH3:12])[n:14]2[CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[CH2:2][CH2:3]1.[CH:30]([OH:31])=[O:32]>>[CH:1]1([c:4]2[n:5][c:6]3[c:7]([n:8][cH:9][cH:10][c:11]3[CH3:12])[n:14]2[CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 284Formic AcidHCID 1140TolueneHCID 8471TriethylamineHCID 15837816HCID 15837816, compound

Product 1

HCID 15383547HCID 15383547, compound

Sources & evidence

ORD record
ord-e6ad77e000bd4bfcbfa3a19f55be8306
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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