tert-Butanol → HCID 68743553, compound

HRID 156000Notes

Reaction equation

HRID 156000 reaction equation
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44]([OH:45])([CH3:46])[CH3:47].[NH2:1][n:2]1[c:3]([S:16][CH2:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][N:23]([c:26]3[n:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[cH:34][cH:35]3)[CH2:24][CH2:25]2)[n:4][c:5]2[cH:6][c:7]([C:13]([OH:14])=[O:15])[cH:8][cH:9][c:10]2[c:11]1=[O:12]>>[NH2:1][n:2]1[c:3]([S:16][CH2:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][N:23]([c:26]3[n:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[cH:34][cH:35]3)[CH2:24][CH2:25]2)[n:4][c:5]2[cH:6][c:7]([NH2:38])[cH:8][cH:9][c:10]2[c:11]1=[O:12]

Participants

4

Reactant 3

HCID 6386tert-ButanolHCID 8471TriethylamineHCID 23155812HCID 23155812, compound

Product 1

HCID 68743553HCID 68743553, compound

Sources & evidence

ORD record
ord-3d1146d73b1e48739ab89ed36d8dd1d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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