HRID206868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID703507

4-(morpholinomethyl)benzoic acid

C12H15NO3

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1

HCID10042344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21e78f4fc8f8493cb2ec4af7fa7a9501
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:57][C:58]#[N:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH:29]([CH3:30])([CH3:31])[N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[ClH:1].[ClH:38].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[O:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]2)[CH2:6][CH2:7]1.[OH2:18].[OH2:56].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[O:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:15])[N:35]3[CH2:34][CH2:33][N:32]([CH:29]([CH3:30])[CH3:31])[CH2:37][CH2:36]3)[cH:16][cH:17]2)[CH2:6][CH2:7]1