Water → 1-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-N-cyclobutyl-1H-pyrrole-3-carboxamide

HRID 287713Notes

Reaction equation

HRID 287713 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]2[c:17]([n:18]1[CH2:19][CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[n:33]1[cH:34][c:35]([C:38](=[O:39])[OH:40])[cH:36][cH:37]1)[cH:29]2.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH:41]1([NH2:45])[CH2:42][CH2:43][CH2:44]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]2[c:17]([n:18]1[CH2:19][CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[n:33]1[cH:34][c:35]([C:38](=[O:40])[NH:45][CH:41]3[CH2:42][CH2:43][CH2:44]3)[cH:36][cH:37]1)[cH:29]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 75645CyclobutylamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579373191-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxylic acid

Product 1

HCID 236603061-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-N-cyclobutyl-1H-pyrrole-3-carboxamide

Sources & evidence

ORD record
ord-d52eb8ff222047d8a9f8a197254abacb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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