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Acetic Acid → (3-Chloro-4-{4-(ethyloxy)-1,3-dioxo-9-[(2,2,2-trifluoroethyl)oxy]-1,3-dihydro-2H-benzo[f]isoindol-2-yl}phenyl)acetic acid

HRID 1230664
Notes
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Reaction equation

HRID 1230664 reaction equation
[CH3:38][C:39](=[O:40])[OH:41].[Cl:1][c:2]1[cH:3][c:4]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:5][cH:6][c:7]1[N:8]1[C:9](=[O:31])[c:10]2[c:11]([O:28][CH2:29][CH3:30])[c:12]3[c:13]([c:14]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[c:15]2[C:16]1=[O:17])[cH:24][cH:25][cH:26][cH:27]3.[ClH:42].[OH2:43]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:32][C:33](=[O:34])[OH:35])[cH:5][cH:6][c:7]1[N:8]1[C:9](=[O:31])[c:10]2[c:11]([O:28][CH2:29][CH3:30])[c:12]3[c:13]([c:14]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[c:15]2[C:16]1=[O:17])[cH:24][cH:25][cH:26][cH:27]3
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 58012482Ethyl (3-chloro-4-{4-(ethyloxy)-1,3-dioxo-9-[(2,2,2-trifluoroethyl)oxy]-1,3-dihydro-2H-benzo[f]isoindol-2-yl}phenyl)acetate

Product 1

HCID 24760118(3-Chloro-4-{4-(ethyloxy)-1,3-dioxo-9-[(2,2,2-trifluoroethyl)oxy]-1,3-dihydro-2H-benzo[f]isoindol-2-yl}phenyl)acetic acid

Sources & evidence

ORD record
ord-1d57e6a3072a4178a5af12a262407e98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes