HRID1556303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID11333554

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile

C14H13N3

HCID18407059

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(OCCCN3CC=C(c4c[nH]c5ccc(C#N)cc45)CC3)ccc2s1

HCID10202848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-467b9517d9a54b4fbbdb79efa1d21c55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:16](#[N:17])[c:18]1[cH:19][c:20]2[c:21]([C:27]3=[CH:32][CH2:31][NH:30][CH2:29][CH2:28]3)[cH:22][nH:23][c:24]2[cH:25][cH:26]1.[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH2:13][CH2:14][Cl:15])[cH:9][cH:10]2.[CH3:35][C:36]#[N:37].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[I-:34].[K+:33].[NH4+:39].[OH-:40].[OH2:38]>>[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH2:13][CH2:14][N:30]1[CH2:29][CH2:28][C:27]([c:21]3[c:20]4[cH:19][c:18]([C:16]#[N:17])[cH:26][cH:25][c:24]4[nH:23][cH:22]3)=[CH:32][CH2:31]1)[cH:9][cH:10]2