HRID1218550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2724902

(3-bromo-4-fluorophenyl)methanamine

C7H7BrFN

反应SMILES：CC(C)(C)OC(=O)N1CCC(Cc2cccc(C(=O)O)c2)CC1

HCID45073959

3-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]methyl}benzoic acid

C18H25NO4

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(Cc2cccc(C(=O)NCc3ccc(F)c(Br)c3)c2)CC1

HCID57736709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-55cc0baa35c349bdade08c5e2c287517
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:53][c:54]1[cH:55][c:56]([CH2:61][NH2:62])[cH:57][cH:58][c:59]1[F:60].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:63][CH:64]([Cl:65])[Cl:66].[ClH:52].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[NH:62][CH2:61][c:56]3[cH:55][c:54]([Br:53])[c:59]([F:60])[cH:58][cH:57]3)[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1