HRID2348967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID100614

1-((Pyrrolidine-1-carbonyl)methyl)piperazine

C10H19N3O

HCID67090030

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1)N1CCCC1

HCID67089613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85a24b2a505a4b70a8c45dd024bdc379
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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