Acetic Acid → HCID 15860435, compound

HRID 1145553Notes

Reaction equation

HRID 1145553 reaction equation
[CH3:39][O:40][CH:41]1[CH2:42][CH2:43][CH:44]([O:45][CH3:46])[O:47]1.[CH3:48][C:49](=[O:50])[OH:51].[CH3:6][C:7]1([CH3:38])[N:8]([CH2:19][CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][N:25]([c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[CH2:26][CH2:27]2)[S:9](=[O:17])(=[O:18])[c:10]2[c:11]1[cH:12][cH:13][c:14]([NH2:16])[cH:15]2.[nH:1]1[cH:2][cH:3][cH:4][cH:5]1>>[n:1]1(-[c:14]2[cH:13][cH:12][c:11]3[c:10]([cH:15]2)[S:9](=[O:17])(=[O:18])[N:8]([CH2:19][CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][N:25]([c:28]4[cH:29][cH:30][cH:31][c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]45)[CH2:26][CH2:27]2)[C:7]3([CH3:6])[CH3:38])[cH:2][cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8027PyrroleHCID 790982,5-DimethoxytetrahydrofuranHCID 18320646HCID 18320646, compound

Product 1

HCID 15860435HCID 15860435, compound

Sources & evidence

ORD record
ord-643db32e2c2647b68f99eb5e553aed5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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