Nicotinic Acid → HCID 19600415, compound

HRID 2332769Notes

Reaction equation

HRID 2332769 reaction equation
[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[n:17]1[c:18]([C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]3[cH:33][cH:34][n:35]([CH2:39][CH2:40][CH2:41][NH2:42])[c:36]3[cH:37][cH:38]2)[n:19][c:20]2[c:21]1[cH:22][c:23]([Cl:26])[cH:24][cH:25]2.[CH2:50]([O:51][P:52]([C:53]#[N:54])(=[O:55])[O:56][CH2:57][CH3:58])[CH3:59].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[OH2:65].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[NH:42][CH2:41][CH2:40][CH2:39][n:35]1[cH:34][cH:33][c:32]2[cH:31][c:30]([NH:29][C:27]([c:18]3[n:17]([CH2:10][c:11]4[cH:12][cH:13][cH:14][cH:15][cH:16]4)[c:21]4[c:20]([n:19]3)[cH:25][cH:24][c:23]([Cl:26])[cH:22]4)=[O:28])[cH:38][cH:37][c:36]21

Participants

7

Reactant 6

HCID 938Nicotinic AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 76257Diethyl cyanophosphonateHCID 19600385HCID 19600385, compound

Product 1

HCID 19600415HCID 19600415, compound

Sources & evidence

ORD record
ord-29cb7f7472a04234ab67c5d3dcc18179
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…