Tolylboric acid → HCID 22053585, compound

HRID 307782Notes

Reaction equation

[CH3:31][c:32]1[c:33]([O:38][B:39]([OH:40])[OH:41])[cH:34][cH:35][cH:36][cH:37]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][NH:10][c:11]3[c:12]([c:15]([Cl:21])[n:16][c:17]([S:19][CH3:20])[n:18]3)[C:13]2=[O:14])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][NH:10][c:11]3[c:12]([c:15](-[c:33]4[c:32]([CH3:31])[cH:37][cH:36][cH:35][cH:34]4)[n:16][c:17]([S:19][CH3:20])[n:18]3)[C:13]2=[O:14])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]

Participants

Reactant 2

HCID 13862916Tolylboric acid

HCID 220535646-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-(methylthio)-5-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin

Product 1

HCID 22053585HCID 22053585, compound

Sources & evidence

ORD record: ord-72288a44672949d188d85e41828defe0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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