Hydrochloric Acid → 2-(4-{[(3,4-Dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid

HRID 683844Notes

Reaction equation

HRID 683844 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[c:5]([C:6](=[O:7])[NH:8][CH2:9][c:10]2[n:11][c:12]([N:18]3[CH2:19][CH2:20][CH:21]([NH:24][C:25](=[O:26])[c:27]4[nH:28][c:29]([CH3:34])[c:30]([Cl:33])[c:31]4[Cl:32])[CH2:22][CH2:23]3)[s:13][c:14]2[C:15](=[O:16])[OH:17])[cH:35][cH:36][cH:37][cH:38]1.[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[C:1]1(=[O:3])[c:4]2[c:5]([cH:35][cH:36][cH:37][cH:38]2)[C:6](=[O:7])[N:8]1[CH2:9][c:10]1[n:11][c:12]([N:18]2[CH2:19][CH2:20][CH:21]([NH:24][C:25](=[O:26])[c:27]3[nH:28][c:29]([CH3:34])[c:30]([Cl:33])[c:31]3[Cl:32])[CH2:22][CH2:23]2)[s:13][c:14]1[C:15](=[O:16])[OH:17]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 68581174HCID 68581174, compound

Product 1

HCID 685796992-(4-{[(3,4-Dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid

Sources & evidence

ORD record
ord-c19525d4961b4447b0a6d7771f579c75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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