HRID190396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID94512

1,2-Benzisothiazole-3-carboxylic acid

C8H5NO2S

HCID10565462

1-Piperazinebutanamine, 4-(1,2-benzisothiazol-3-yl)-

C15H22N4S

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1nsc2ccccc12

HCID3073070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6018f934c0da4795925b78264f2bc6d6
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

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl-:1].[OH2:41].[s:14]1[n:15][c:16]([N:23]2[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][CH2:31][CH2:32][NH2:33])[CH2:27][CH2:28]2)[c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2.[s:2]1[n:3][c:4]([C:11](=[O:12])[OH:13])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[ClH:1].[s:2]1[n:3][c:4]([C:11](=[O:13])[NH:33][CH2:32][CH2:31][CH2:30][CH2:29][N:26]2[CH2:25][CH2:24][N:23]([c:16]3[n:15][s:14][c:18]4[c:17]3[cH:22][cH:21][cH:20][cH:19]4)[CH2:28][CH2:27]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2