HRID2348080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

3 次

HCID1140

Toluene

C7H8

HCID6058

Cysteamine

C2H7NS

HCID8471

Triethylamine

C6H15N

HCID32051

Zinc (II) cation

Zn+2

HCID54390956

未命名化合物

PRODUCTS

生成物

结构：CON=C(C1=NCCS1)c1ccccc1COc1cc(C)ccc1C

HCID53741675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf3f5c5d993640da952a56eccb98388c
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:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][c:21]1[c:22]([O:23][CH2:24][c:25]2[c:26]([C:31]([C:32]#[N:33])=[N:34][O:35][CH3:36])[cH:27][cH:28][cH:29][cH:30]2)[cH:37][c:38]([CH3:41])[cH:39][cH:40]1.[CH3:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[ClH:1].[NH2:2][CH2:3][CH2:4][SH:5].[OH2:42].[OH2:43].[OH2:53].[Zn+2:48]>>[CH2:3]1[CH2:4][S:5][C:32]([C:31]([c:26]2[c:25]([CH2:24][O:23][c:22]3[c:21]([CH3:20])[cH:40][cH:39][c:38]([CH3:41])[cH:37]3)[cH:30][cH:29][cH:28][cH:27]2)=[N:34][O:35][CH3:36])=[N:33]1