Hydrochloric Acid → HCID 12799178, compound

HRID 1552342Notes

Reaction equation

HRID 1552342 reaction equation
[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[Cl:55][CH2:56][Cl:57].[ClH:18].[ClH:19].[NH2:20][CH:21]1[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][CH2:29][O:30][c:31]2[cH:32][c:33]3[c:34]([c:35]4[c:36]([c:37](=[O:39])[o:38]3)[CH2:40][CH2:41][CH2:42]4)[cH:43][cH:44]2)[CH2:25][CH2:26]1.[Na+:46].[OH-:45].[OH2:47].[OH:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][cH:15][n:16][cH:17]1>>[C:10](=[O:11])([c:12]1[cH:13][cH:14][cH:15][n:16][cH:17]1)[NH:20][CH:21]1[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][CH2:29][O:30][c:31]2[cH:32][c:33]3[c:34]([c:35]4[c:36]([c:37](=[O:39])[o:38]3)[CH2:40][CH2:41][CH2:42]4)[cH:43][cH:44]2)[CH2:25][CH2:26]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 938Nicotinic AcidHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 12799207HCID 12799207, compound

Product 1

HCID 12799178HCID 12799178, compound

Sources & evidence

ORD record
ord-fb8e82b14b0e42639450a2147f8d4e11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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