HCID 21865124, compound → HCID 58691402, compound

HRID 1554964Notes

Reaction equation

HRID 1554964 reaction equation
[CH3:1][CH:2]1[N:3]([CH2:7][c:8]2[c:9]([B:18]([OH:19])[OH:20])[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[CH2:4][CH2:5][CH2:6]1.[I:21][c:22]1[cH:23][c:24]([O:28][c:29]2[cH:30][cH:31][cH:32][c:33]3[c:34]2[n:35][c:36]([NH2:38])[s:37]3)[n:25][cH:26][n:27]1>>[CH3:1][CH:2]1[N:3]([CH2:7][c:8]2[c:9](-[c:22]3[cH:23][c:24]([O:28][c:29]4[cH:30][cH:31][cH:32][c:33]5[c:34]4[n:35][c:36]([NH2:38])[s:37]5)[n:25][cH:26][n:27]3)[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[CH2:4][CH2:5][CH2:6]1

Participants

3

Sources & evidence

ORD record
ord-0d0c86e09169467ba1f6bba415af590d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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