HRID119478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID10681562

[1-(tert-Butoxycarbonyl)piperidin-4-ylidene]acetic acid

C12H19NO4

结构：CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccc2ccccc2c1)NC

HCID22326951

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1

HCID20827577

Tert-butyl 4-[2-[methyl-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-oxoethylidene]piperidine-1-carboxylate

C37H46N4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4fceb94a69847ba9670ca660f054e3d
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH:14][C:15](=[O:16])[OH:17])[CH2:12][CH2:13]1.[CH2:60]([Cl:61])[Cl:62].[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][CH2:24][N:25]=[C:26]=[N:27][CH2:28][CH3:29].[CH3:30][N:31]([C:32]([CH:33]([CH2:34][c:35]1[cH:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[cH:43][cH:44]1)[NH:45][CH3:46])=[O:47])[CH:48]([CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[C:56]([NH:57][CH3:58])=[O:59].[ClH:18]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH:14][C:15](=[O:17])[N:45]([CH:33]([C:32]([N:31]([CH3:30])[CH:48]([CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[C:56]([NH:57][CH3:58])=[O:59])=[O:47])[CH2:34][c:35]2[cH:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[cH:43][cH:44]2)[CH3:46])[CH2:12][CH2:13]1