HRID671777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID938

Nicotinic acid

C6H5NO2

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID53839214

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID53752396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6120c6e418b2467f943a466bde3a546b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:52]([OH:53])[CH3:54].[CH3:56][C:57](=[O:58])[CH3:59].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[ClH:55].[NH2:16][CH2:17][CH2:18][O:19][CH2:20][CH:21]([OH:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][n:40][cH:41]1.[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[ClH:55].[NH:16]([CH2:17][CH2:18][O:19][CH2:20][CH:21]([OH:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)[C:34](=[O:33])[c:36]1[cH:37][cH:38][cH:39][n:40][cH:41]1