HRID2131814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID75919

2-(2-Aminoethyl)pyridine

C7H10N2

结构：CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O

HCID14802503

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccn1

HCID44327249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a4bb6278324cf0b872838aad8f616a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:1]12[CH:2]([O:11][C:12](=[O:13])[NH:14][C:15]([CH2:16][c:17]3[cH:18][nH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]34)([C:26](=[O:27])[OH:28])[CH3:29])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[ClH:40].[NH2:52][CH2:53][CH2:54][c:55]1[n:56][cH:57][cH:58][cH:59][cH:60]1.[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH:1]12[CH:2]([O:11][C:12](=[O:13])[NH:14][C:15]([CH2:16][c:17]3[cH:18][nH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]34)([C:26](=[O:28])[NH:52][CH2:53][CH2:54][c:55]3[n:56][cH:57][cH:58][cH:59][cH:60]3)[CH3:29])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2