Acetic Acid → HCID 86625267, compound

HRID 88882Notes

Reaction equation

HRID 88882 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[CH:33](=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:45][CH2:46][Cl:47].[c:1]1(-[c:7]2[n:8][n:9][n:10]([CH:12]3[CH2:13][CH:14]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][N:22]([c:25]5[c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31][cH:32]5)[CH2:23][CH2:24]4)[NH:15][CH2:16]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9][n:10]([CH:12]3[CH2:13][CH:14]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][N:22]([c:25]5[c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31][cH:32]5)[CH2:23][CH2:24]4)[N:15]([CH2:33][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[CH2:16]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 6344DichloromethaneHCID 66915931HCID 66915931, compound

Product 1

HCID 86625267HCID 86625267, compound

Sources & evidence

ORD record
ord-035a3fe4d6584b14b3381e832fa26249
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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