HRID289357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)NCCC(NC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

HCID57750323

tert-butyl 4-(3-acetamido-1-(4-chlorophenyl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

C28H36ClN7O4

PRODUCTS

生成物

结构：CC(=O)NCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

HCID42602177

4-Piperidinecarboxamide, N-[3-(acetylamino)-1-(4-chlorophenyl)propyl]-4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-

C23H28ClN7O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc5d13a2da35480eab8cbae899458e9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:8]([CH3:9])(=[O:10])[NH:11][CH2:12][CH2:13][CH:14]([c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[NH:22][C:23](=[O:24])[C:25]1([NH:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:26][CH2:27][N:28]([c:31]2[c:32]3[c:33]([n:34][cH:35][n:36]2)[nH:37][cH:38][cH:39]3)[CH2:29][CH2:30]1.[CH2:2]1[O:3][CH2:4][CH2:5][O:6][CH2:7]1.[Cl:48][CH2:49][Cl:50].[ClH:1]>>[C:8]([CH3:9])(=[O:10])[NH:11][CH2:12][CH2:13][CH:14]([c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[NH:22][C:23](=[O:24])[C:25]1([NH2:40])[CH2:26][CH2:27][N:28]([c:31]2[c:32]3[c:33]([n:34][cH:35][n:36]2)[nH:37][cH:38][cH:39]3)[CH2:29][CH2:30]1