Water → 2-(2-Cyclobutoxy-5-hydroxymethyl-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

HRID 2126235Notes

Reaction equation

HRID 2126235 reaction equation
[CH2:18]([CH3:19])[O:20][C:21](=[O:22])[C:23]1([NH2:32])[CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[CH2:31]1.[CH:1]1([O:5][c:6]2[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([CH2:16][OH:17])[cH:13][c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH:1]1([O:5][c:6]2[c:7]([C:8](=[O:10])[NH:32][C:23]3([C:21]([O:20][CH2:18][CH3:19])=[O:22])[CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[CH2:31]3)[cH:11][c:12]([CH2:16][OH:17])[cH:13][c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10921653Ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylateHCID 593143012-Cyclobutoxy-5-hydroxymethyl-3-methyl-benzoic acid

Product 1

HCID 593141022-(2-Cyclobutoxy-5-hydroxymethyl-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-9f482f69c065426582163f7d1a30f3de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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