HRID1556264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID426818

未命名化合物

HCID22012301

未命名化合物

PRODUCTS

产物

HCID178525063

benzyl 2-[[3-cyclohexyl-3-hydroxy-2-[(2-phenylmethoxyphenyl)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoate

C41H44N2O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0f279d9e650146939ab442d72ea12426
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:15][CH:16]([C:17](=[O:18])[OH:19])[CH:20]([OH:21])[CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][C:37]([CH:38]([NH2:39])[CH2:40][c:41]1[cH:42][nH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12)=[O:50].[CH2:62]1[CH2:63][CH2:64][CH:65]([N:66]=[C:67]=[N:68][CH:69]2[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]2)[CH2:75][CH2:76]1.[CH3:77][N:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[CH3:90][CH2:91][O:92][CH2:93][CH3:94].[ClH:28].[ClH:84].[OH2:51].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:15][CH:16]([C:17](=[O:18])[NH:39][CH:38]([C:37]([O:36][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[O:50])[CH2:40][c:41]2[cH:42][nH:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]23)[CH:20]([OH:21])[CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:11][cH:12][cH:13][cH:14]1