Water → 4-cyano-1H-pyrrole-2-carboxylic acid

HRID 2160542Notes

Reaction equation

HRID 2160542 reaction equation
[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][N:7]([c:8]2[cH:9][cH:10][c:11]([NH:12][C:21](=[O:22])[c:23]3[nH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]3)[c:13]([N:14]3[CH2:15][CH2:16][CH:17]([CH3:18])[CH2:19][CH2:20]3)[cH:30]2)[CH2:31][CH2:32]1)=[O:33])([CH3:34])([CH3:35])[CH3:36].[Cl:45][CH2:46][Cl:47].[F:37][C:38]([F:39])([F:41])[C:42](=[O:40])[OH:43].[OH2:44]>>[C:21]([OH:22])([c:23]1[nH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]1)=[O:40]

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 586385224-[4-[(4-Cyano-1H-pyrrole-2-carbonyl)-amino]-3-(4-methyl-piperidin-1-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 118048114-cyano-1H-pyrrole-2-carboxylic acid

Sources & evidence

ORD record
ord-ac307fa6dbe14a12b4d9bd455e809fdd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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