Acetic Acid → HCID 22387965, compound

HRID 164469Notes

Reaction equation

HRID 164469 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([CH3:18])[n:7][c:8]3[c:9]2[n:10][c:11]([C:14](=[O:15])[O:16][CH3:17])[cH:12][cH:13]3)[cH:19][cH:20][c:21](-[c:23]2[s:24][cH:25][cH:26][cH:27]2)[cH:22]1.[Cl:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[Cl:36][CH2:37][Cl:38]>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([CH3:18])[n:7][c:8]3[c:9]2[n:10][c:11]([C:14](=[O:15])[O:16][CH3:17])[cH:12][cH:13]3)[cH:19][cH:20][c:21](-[c:23]2[s:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:22]1

Participants

5

Sources & evidence

ORD record
ord-ec327238dcaf44039131b92ba47c2d2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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