HRID98763

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

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID178516087

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COC1CCCC(Nc2ncnc3oc(-c4ccccc4)cc23)C1

HCID76739682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bce4d2299c614310b2cd5a25068dbc54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([CH2:32][Br:33])=[O:34].[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Na+:25].[OH-:24].[OH2:35].[S:36]([O-:37])([OH:38])(=[O:39])=[O:40].[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12][n:13][c:14]3[NH:15][CH:16]3[CH2:17][CH:18]([OH:22])[CH2:19][CH2:20][CH2:21]3)[o:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12][n:13][c:14]3[NH:15][CH:16]3[CH2:17][CH:18]([O:22][CH2:32][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:34])[CH2:19][CH2:20][CH2:21]3)[o:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1