Dichloromethane → HCID 178498563, compound

HRID 2344401Notes

Reaction equation

[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[OH:30])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:55][CH2:56][Cl:57].[NH2:41][c:42]1[cH:43][c:44]([F:54])[c:45]([C:46](=[O:47])[O:48][CH3:49])[cH:50][c:51]1[O:52][CH3:53]>>[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:41][c:42]3[cH:43][c:44]([F:54])[c:45]([C:46](=[O:47])[O:48][CH3:49])[cH:50][c:51]3[O:52][CH3:53])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 81531Diisopropylethylamine

HCID 57955533Methyl 4-amino-2-fluoro-5-methoxybenzoate

HCID 666882513-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid

Product 1

HCID 178498563HCID 178498563, compound

Sources & evidence

ORD record: ord-8968cdaac2ad4a4aa59ed86c1e63128b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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