HRID960505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3Cc2csc(C)n2)cc1

HCID22328974

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3Cc2csc(C)n2)cc1

HCID22329193

7-[4-(1-Butoxyethoxy)phenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

C28H32N2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60070dfa21e34a81a96618773c44a5ee
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH:6]([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:36]2)[CH:20]=[C:21]([C:32](=[O:33])[O:34][CH3:35])[CH2:22][CH2:23][N:24]3[CH2:25][c:26]2[n:27][c:28]([CH3:31])[s:29][cH:30]2)[cH:13][cH:14]1.[CH3:44][OH:45].[ClH:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:37]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH:6]([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:36]2)[CH:20]=[C:21]([C:32](=[O:33])[OH:34])[CH2:22][CH2:23][N:24]3[CH2:25][c:26]2[n:27][c:28]([CH3:31])[s:29][cH:30]2)[cH:13][cH:14]1