Acetic Acid → HCID 178448917, compound

HRID 2128021Notes

Reaction equation

HRID 2128021 reaction equation
[C:59]([OH:60])(=[O:61])[CH3:62].[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]=[C:6]1[C:7]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)([C:48](=[O:49])[O:50][CH2:51][CH3:52])[N:8]=[CH:9][S:10]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:53]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]=[C:6]1[C:7]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[nH:25][n:26][n:27][n:28]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)([C:48](=[O:49])[O:50][CH2:51][CH3:52])[N:8]=[CH:9][S:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 19017715HCID 19017715, compound

Product 1

HCID 178448917HCID 178448917, compound

Sources & evidence

ORD record
ord-c667045c398c4f5fb578275b51bbed4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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