Acetic Acid → HCID 69298926, compound

HRID 673066Notes

Reaction equation

HRID 673066 reaction equation
[CH2:29]([CH3:30])[O:31][c:32]1[cH:33][c:34]([CH2:35][n:36]2[n:37][cH:38][c:39]3[c:40]2[n:41][cH:42][n:43][c:44]3[N:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[cH:51][cH:52][cH:53]1.[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][N:11]([CH3:12])[CH3:13])[c:14]1[cH:15][cH:16][c:17]([CH:18]=[O:19])[cH:20][cH:21]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][C:62](=[O:63])[OH:64].[ClH:27].[ClH:28].[O:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][N:11]([CH3:12])[CH3:13])[c:14]1[cH:15][cH:16][c:17]([CH2:18][N:48]2[CH2:47][CH2:46][N:45]([c:44]3[c:39]4[cH:38][n:37][n:36]([CH2:35][c:34]5[cH:33][c:32]([O:31][CH2:29][CH3:30])[cH:53][cH:52][cH:51]5)[c:40]4[n:41][cH:42][n:43]3)[CH2:50][CH2:49]2)[cH:20][cH:21]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 69298925HCID 69298925, compoundHCID 86605583HCID 86605583, compound

Product 1

HCID 69298926HCID 69298926, compound

Sources & evidence

ORD record
ord-8f441415760d4f2b8a323f8311b07c2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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