HRID1224372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID135

4-Hydroxybenzoic acid

C7H6O3

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2739269

4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H12ClNS

PRODUCTS

生成物

结构：O=C(c1ccc(O)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1

HCID21264383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13717ec0aefb45a5a36629d9dc4fe655
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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