Acetic Acid → 2-(5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl)propanal

HRID 196119Notes

Reaction equation

HRID 196119 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:52][OH:53].[NH:23]([CH:24]([NH:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[O:1]=[c:2]1[c:3]2[c:4]([cH:5][cH:6][c:7]3[c:8]1[cH:9][cH:10][c:11]([CH:13]([C:14](=[O:15])[Cl:16])[CH3:17])[cH:12]3)[cH:18][cH:19][cH:20][cH:21]2.[OH2:22]>>[O:1]=[c:2]1[c:3]2[c:4]([cH:5][cH:6][c:7]3[c:8]1[cH:9][cH:10][c:11]([CH:13]([CH:14]=[O:15])[CH3:17])[cH:12]3)[cH:18][cH:19][cH:20][cH:21]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 8150DiglymeHCID 15852811DianilinoethaneHCID 203106912-(5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl)propionyl chloride

Product 1

HCID 214093832-(5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl)propanal

Sources & evidence

ORD record
ord-014d697d21174cd0883cf07e5bbc63c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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