Water → N-[3-ethyl-4-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]acetamide

HRID 171929Notes

Reaction equation

HRID 171929 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH2:6][CH:7]([CH2:13][CH3:14])[CH:8]([C:10](=[O:11])[OH:12])[CH2:9]1.[Cl:60][CH2:61][Cl:62].[NH:15]([NH2:16])[c:17]1[n:18][c:19]2[c:20]([n:21][cH:22]1)[n:23]([S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]1)[cH:24][cH:25]2.[OH2:63].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH2:6][CH:7]([CH2:13][CH3:14])[CH:8]([C:10](=[O:12])[NH:16][NH:15][c:17]2[n:18][c:19]3[c:20]([n:21][cH:22]2)[n:23]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]2)[cH:24][cH:25]3)[CH2:9]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 580098102-Hydrazinyl-5-tosyl-5H-pyrrolo[2,3-b]pyrazineHCID 672167954-Acetamido-2-ethylcyclopentane-1-carboxylic acid

Product 1

HCID 76829134N-[3-ethyl-4-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]acetamide

Sources & evidence

ORD record
ord-4d342d46b70d4871aa92aa0c82d5a0a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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