Acetate → Octocrylene

HRID 90710Notes

Reaction equation

HRID 90710 reaction equation
[C:1](#[N:2])[CH2:3][C:4](=[O:5])[O:6][CH2:7][CH:8]([CH2:9][CH2:10][CH2:11][CH3:12])[CH2:13][CH3:14].[CH3:30][C:31](=[O:32])[O-:33].[CH3:34][CH2:35][C:36](=[O:37])[OH:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[NH4+:29].[O:15]=[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[OH2:46]>>[C:1](#[N:2])[C:3]([C:4](=[O:5])[O:6][CH2:7][CH:8]([CH2:9][CH2:10][CH2:11][CH3:12])[CH2:13][CH3:14])=[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1

Participants

8

Reactant 7

HCID 175AcetateHCID 223AmmoniumHCID 962WaterHCID 1032Propionic AcidHCID 3102BenzophenoneHCID 8900HeptaneHCID 963592-Ethylhexyl cyanoacetate

Product 1

HCID 22571Octocrylene

Sources & evidence

ORD record
ord-c8eace08c6ab49dfb6b33f35ee79a312
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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