Water → 1-methyl-3-{1-[(1-methyl-1H-pyrrol-2-yl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 2331330Notes

Reaction equation

HRID 2331330 reaction equation
[CH3:21][n:22]1[c:23]([CH2:27][C:28](=[O:29])[OH:30])[cH:24][cH:25][cH:26]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21.[OH2:64].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[N:1]1([C:28]([CH2:27][c:23]2[n:22]([CH3:21])[cH:26][cH:25][cH:24]2)=[O:29])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21

Participants

7

Reactant 6

HCID 962WaterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 890951-Methyl-1H-pyrrole-2-acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668235513-(2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 534682571-methyl-3-{1-[(1-methyl-1H-pyrrol-2-yl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-ad2db5242bac4bfe81fb0efbda2084c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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