tert-Butanol → HCID 178418688, compound

HRID 1122135Notes

Reaction equation

HRID 1122135 reaction equation
[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]([OH:38])([CH3:39])[CH3:40].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([Cl:17])[n:13][c:14]([Cl:16])[cH:15]3)[nH:7][n:8]2)[CH2:2][CH2:3]1.[cH:18]1[c:19]([SH:28])[cH:20][cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([S:28][c:19]4[cH:18][c:27]5[c:22]([cH:21][cH:20]4)[cH:23][cH:24][cH:25][cH:26]5)[n:13][c:14]([Cl:16])[cH:15]3)[nH:7][n:8]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6386tert-ButanolHCID 70582-NaphthalenethiolHCID 8471TriethylamineHCID 178418938HCID 178418938, compound

Product 1

HCID 178418688HCID 178418688, compound

Sources & evidence

ORD record
ord-13beb879bcd546fa9ee692ce2b704d97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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