Hydrochloric Acid → HCID 22293290, compound

HRID 1573048Notes

Reaction equation

HRID 1573048 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]1.[ClH:37].[ClH:38].[NH2:8][CH:9]1[C:10](=[O:23])[NH:11][CH2:12][CH:13]([c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[CH2:14][CH2:15]1.[O:39]=[c:40]1[n:41]([CH:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[c:42]2[c:43]([n:44][cH:45][cH:46][cH:47]2)[nH:48]1.[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1>>[NH:8]([CH:9]1[C:10](=[O:23])[NH:11][CH2:12][CH:13]([c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[CH2:14][CH2:15]1)[C:25](=[O:26])[N:52]1[CH2:51][CH2:50][CH:49]([n:41]2[c:40](=[O:39])[nH:48][c:43]3[c:42]2[cH:47][cH:46][cH:45][n:44]3)[CH2:54][CH2:53]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 81531DiisopropylethylamineHCID 821294-Nitrophenyl chloroformateHCID 22293156HCID 22293156, compoundHCID 22293182Bms-973013

Product 1

HCID 22293290HCID 22293290, compound

Sources & evidence

ORD record
ord-486423e4a8c94f92a56b3d55409501d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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