HRID1124996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8900

Heptane

C7H16

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

HCID53938449

未命名化合物

PRODUCTS

生成物

HCID3015642

tert-Butyl hydrogen carbonate

C5H10O3

HCID53938449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c7bd66f481e4e3497c4d56c995c1abf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH3:15][C:16]([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[O:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[Na+:31].[OH-:30].[OH2:61].[S:32]([O-:33])([OH:34])(=[O:35])=[O:36].[n:1]1[cH:2][c:3]([CH:11]=[CH:12][CH2:13][OH:14])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[CH3:15][C:16]([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[OH:22].[n:1]1[cH:2][c:3]([CH:11]=[CH:12][CH2:13][OH:14])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12