Isonicotinic Acid → HCID 18009080, compound

HRID 114392Notes

Reaction equation

HRID 114392 reaction equation
[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]([CH2:11][OH:12])[N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]1)[CH2:28][c:29]1[cH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[cH:37][cH:38]1.[OH:39][C:40](=[O:41])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]([CH2:11][OH:12])[N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]1)[CH2:28][c:29]1[cH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[cH:37][cH:38]1)[C:40](=[O:39])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1

Participants

3

Sources & evidence

ORD record
ord-3cef0ddb61f0408ea14150bfd5f3cbf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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