HRID2331824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID98841

Phenothiazine-2-carbonitrile

C13H8N2S

结构：CC(C)CCNC(=O)c1ccc2c(c1)N(C(C)CN(C)C)c1ccccc1S2

HCID14536634

未命名化合物

PRODUCTS

生成物

HCID14536633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3e6d4131a2b4eb8b715abfe7125ba22
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

[Br-:1].[C:7]([c:8]1[cH:9][cH:10][c:11]2[c:20]([cH:21]1)[NH:19][c:14]1[c:13]([cH:18][cH:17][cH:16][cH:15]1)[S:12]2)#[N:22].[CH2:52]([C:53]([CH3:54])=[O:55])[CH3:56].[CH3:23][N:24]([CH2:25][CH:26]([CH3:27])[N:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[S:35][c:36]2[cH:37][cH:38][c:39]([C:42]([NH:44][CH2:43][CH2:45][CH:46]([CH3:47])[CH3:48])=[O:49])[cH:40][c:41]21)[CH3:50].[K+:2].[K+:6].[Na+:4].[OH-:3].[OH-:5].[OH2:51]>>[CH3:23][N:24]([CH2:25][CH:26]([CH3:27])[N:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[S:35][c:36]2[cH:37][cH:38][c:39]([C:42]#[N:44])[cH:40][c:41]21)[CH3:50]