Dichloromethane → Trifluoroacetic acid

HRID 179070Notes

Reaction equation

HRID 179070 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][c:14]([C:18]([NH:19][C:20]3([C:29](=[O:30])[OH:31])[CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)=[O:32])[c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[Cl:40][CH2:41][Cl:42].[F:33][C:34]([C:35](=[O:36])[OH:37])([F:38])[F:39]>>[F:33][C:34]([C:35](=[O:36])[OH:37])([F:38])[F:39].[NH:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][c:14]([C:18]([NH:19][C:20]3([C:29](=[O:30])[OH:31])[CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)=[O:32])[c:15]2[CH2:16][CH2:17]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 593143385-(2-Carboxy-indan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 593142982-[(1,2,3,4-Tetrahydro-isoquinoline-5-carbonyl)-amino]-indan-2-carboxylic acid

Sources & evidence

ORD record
ord-c1b329f75a624a7fafc6b7465a00fc60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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