Hydrochloric Acid → HCID 72360026, compound

HRID 1236061Notes

Reaction equation

HRID 1236061 reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:50][N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[Cl:42][C:43]([O:44][CH2:45][CH:46]([CH3:47])[CH3:48])=[O:49].[ClH:57].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]([C:13](=[O:14])[NH:15][N:16]=[C:17]([CH3:18])[c:19]2[cH:20][s:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:29][cH:30]3)[c:23]2[OH:24])[cH:12]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[N:54]2[CH2:53][CH2:52][N:51]([CH3:50])[CH2:56][CH2:55]2)[cH:9][cH:10][c:11]([C:13](=[O:14])[NH:15][N:16]=[C:17]([CH3:18])[c:19]2[cH:20][s:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:29][cH:30]3)[c:23]2[OH:24])[cH:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 531671-MethylpiperazineHCID 62365Isobutyl chloroformateHCID 72360107HCID 72360107, compound

Product 1

HCID 72360026HCID 72360026, compound

Sources & evidence

ORD record
ord-51affb0d6c5e49d7b2cc01ca2f830cc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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