HRID1139613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID1653580

1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one

C10H12N2O

HCID68584095

未命名化合物

HCID86602121

tert-Butyl [{1-(2-benzyloxycarbonyl-2-methylpropyl)piperidin-4-yl}methyl]carbamate

C23H36N2O4

PRODUCTS

产物

HCID68585579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c3a34fce2cde402daf9e29a64c15e3e6
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

[CH2:35]([O:36][C:37]([C:38]([CH3:39])([CH3:40])[CH2:41][N:42]1[CH2:43][CH2:44][CH:45]([CH2:46][NH2:47])[CH2:48][CH2:49]1)=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH2:57]([c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[O:64][C:65](=[O:66])[C:67]([CH2:68][N:69]1[CH2:70][CH2:71][CH:72]([CH2:75][NH:76][C:77]([O:78][C:80]([CH3:81])([CH3:82])[CH3:83])=[O:79])[CH2:73][CH2:74]1)([CH3:84])[CH3:85].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:92][OH:93].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:13])[nH:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Cl:21][C:22]([O:23][c:24]1[cH:25][cH:26][c:27]([N+:28]([O-:29])=[O:30])[cH:31][cH:32]1)=[O:33].[Cl:89][CH2:90][Cl:91].[ClH:34].[ClH:86].[Na+:88].[OH-:87]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:13])[n:6]([C:77]([NH:76][CH2:75][CH:72]2[CH2:71][CH2:70][N:69]([CH2:68][C:67]([C:65]([O:64][CH2:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)=[O:66])([CH3:84])[CH3:85])[CH2:74][CH2:73]2)=[O:78])[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2