HRID667481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6348

Carbon disulfide

CS2

HCID7361

Furfuryl alcohol

C5H6O2

HCID24386

Thionyl chloride

Cl2OS

HCID98285

1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid

C12H12N2O2

HCID219520

2-(CHLOROMETHYL)FURAN

C5H5ClO

PRODUCTS

生成物

结构：O=C(O)C1Cc2c([nH]c3ccccc23)CN1C(=S)SCc1ccco1

HCID178524055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4e57f18dd7c47d58d6c71d6b385396a
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

[CH2:19]([c:20]1[cH:21][cH:22][cH:23][o:24]1)[Cl:25].[CH2:1]1[NH:2][CH:3]([C:14](=[O:15])[OH:16])[CH2:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]21.[CH3:46][CH2:47][OH:48].[K+:18].[OH-:17].[OH:26][CH2:27][c:28]1[o:29][cH:30][cH:31][cH:32]1.[S:33]([Cl:34])([Cl:35])=[O:36].[S:37]=[C:38]=[S:39].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[CH2:1]1[N:2]([C:38](=[S:37])[S:39][CH2:19][c:20]2[cH:21][cH:22][cH:23][o:24]2)[CH:3]([C:14](=[O:15])[OH:16])[CH2:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]21