Acetic Acid → HCID 15051942, compound

HRID 2312920Notes

Reaction equation

HRID 2312920 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH3:43])[c:6]3[n:7]([c:8]2[cH:9][cH:10]1)[C:11](=[O:42])[CH:12]([CH:15]([c:16]1[n:17][cH:18][n:19]([C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:20]1[CH3:21])[OH:41])[CH2:13][CH2:14]3.[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH3:43])[c:6]3[n:7]([c:8]2[cH:9][cH:10]1)[C:11](=[O:42])[CH:12]([CH:15]([c:16]1[n:17][cH:18][nH:19][c:20]1[CH3:21])[OH:41])[CH2:13][CH2:14]3

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 10031247HCID 10031247, compound

Product 1

HCID 15051942HCID 15051942, compound

Sources & evidence

ORD record
ord-48e7f7ca4f434e9ab69b815788157ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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