Acetic Acid → HCID 59605791, compound

HRID 1142680Notes

Reaction equation

HRID 1142680 reaction equation
[CH2:1]([N:8]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:45]1)[c:9]1[n:10][c:11]2[c:12]([n:13]1-[c:14]1[n:15][c:16]([N:35]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[c:17]3[n:18][c:19]([CH2:24][N:25]4[CH2:26][CH2:27][CH:28]([C:31]([CH3:32])([CH3:33])[OH:34])[CH2:29][CH2:30]4)[n:20]([CH3:23])[c:21]3[n:22]1)[cH:41][cH:42][cH:43][cH:44]2)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][CH2:57][OH:58]>>[NH2:8][c:9]1[n:10][c:11]2[c:12]([n:13]1-[c:14]1[n:15][c:16]([N:35]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[c:17]3[n:18][c:19]([CH2:24][N:25]4[CH2:26][CH2:27][CH:28]([C:31]([CH3:32])([CH3:33])[OH:34])[CH2:29][CH2:30]4)[n:20]([CH3:23])[c:21]3[n:22]1)[cH:41][cH:42][cH:43][cH:44]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 59605369HCID 59605369, compound

Product 1

HCID 59605791HCID 59605791, compound

Sources & evidence

ORD record
ord-68e38baf8c984c1c843dbbde3b6137c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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