Acetic Acid → HCID 11754871, compound

HRID 1240991Notes

Reaction equation

HRID 1240991 reaction equation
[CH3:27][O:28][c:29]1[c:30]([NH2:35])[cH:31][cH:32][cH:33][cH:34]1.[CH3:36][C:37]#[N:38].[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[c:3]([Cl:26])[c:4]2[c:5]([n:6][cH:7]1)[nH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:15][cH:16]1)[n:10]2>>[Cl:1][c:2]1[c:3]([NH:35][c:30]2[c:29]([O:28][CH3:27])[cH:34][cH:33][cH:32][cH:31]2)[c:4]2[c:5]([n:6][cH:7]1)[n:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:15][cH:16]1)[nH:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 70002-MethoxyanilineHCID 178478272HCID 178478272, compound

Product 1

HCID 11754871HCID 11754871, compound

Sources & evidence

ORD record
ord-bd5a6394a50c473d9fb54802e0e13f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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