HRID146752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID566324

1-(1-Methyl-4-piperidinyl)piperazine

C10H21N3

HCID72272398

Tert-butyl 2-[3-(2,3,4,5,6-pentafluorophenoxy)sulfonylpropyl]pyrrolidine-1-carboxylate

C18H22F5NO5S

PRODUCTS

产物

HCID66754716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f085a50a368445c18c742764352aaff4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:55](=[O:56])([OH:57])[O-:58].[CH3:31][N:32]1[CH2:33][CH2:34][CH:35]([N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[CH2:36][CH2:37]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[F:1][c:2]1[c:3]([F:4])[c:23]([F:24])[c:25]([F:26])[c:27]([F:28])[c:29]1[O:30][S:5](=[O:6])(=[O:7])[CH2:8][CH2:9][CH2:10][CH:11]1[N:12]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:13][CH2:14][CH2:15]1.[N:44]12[CH2:45][CH2:46][CH2:47][N:48]=[C:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2.[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[S:5](=[O:6])(=[O:7])([CH2:8][CH2:9][CH2:10][CH:11]1[N:12]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:13][CH2:14][CH2:15]1)[N:41]1[CH2:40][CH2:39][N:38]([CH:35]2[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]2)[CH2:43][CH2:42]1