HRID200975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID994

DL-Phenylalanine

C9H11NO2

HCID6845

Naphthalene, 1-(chloromethyl)-

C11H9Cl

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID10039

Carbonyl sulfide

COS

HCID31275

1,4-Dioxane

C4H8O2

PRODUCTS

生成物

结构：O=C(O)C(Cc1ccccc1)NC(=S)Cc1cccc2ccccc12

HCID178525301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-187251f431b24f06ae9e70c9b815272e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Cl:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12.[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12].[O:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[O:26]=[C:27]=[S:28].[OH2:41]>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12])[C:27](=[S:28])[CH2:30][c:31]1[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12