HCID 72321440, compound → HCID 173088817, compound

HRID 176241Notes

Reaction equation

HRID 176241 reaction equation
[NH2:1][c:2]1[n:3][c:4]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])=[N:44][O:45][CH3:46])[n:5][s:6]1.[NH2:47][c:48]1[n:49][n:50][c:51]([SH:53])[s:52]1>>[NH2:1][c:2]1[n:3][c:4]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]([S:53][c:51]4[n:50][n:49][c:48]([NH2:47])[s:52]4)=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])=[N:44][O:45][CH3:46])[n:5][s:6]1

Participants

3

Reactant 2

HCID 72321440HCID 72321440, compoundHCID 178509208HCID 178509208, compound

Product 1

HCID 173088817HCID 173088817, compound

Sources & evidence

ORD record
ord-525d100e0bd349df889af02a6e2d3989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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