HRID2317384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID612040

2-Bromobenzothiazole

C7H4BrNS

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(N)nc21

HCID58180503

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc4ccccc4s3)nc21

HCID58180617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-629af0cb1f124a16b3e3d75a42289cfe
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:28][c:29]1[s:30][c:31]2[c:32]([n:33]1)[cH:34][cH:35][cH:36][cH:37]2.[H-:26].[NH2:1][c:2]1[c:3]2[c:4]([c:5]3[c:6]([n:7]1)[n:8]([CH2:20][CH3:21])[c:9]([C:11](=[O:12])[N:13]([CH:14]1[CH2:15][CH2:16]1)[CH:17]1[CH2:18][CH2:19]1)[cH:10]3)[n:22]([CH3:25])[cH:23][n:24]2.[Na+:27].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[NH:1]([c:2]1[c:3]2[c:4]([c:5]3[c:6]([n:7]1)[n:8]([CH2:20][CH3:21])[c:9]([C:11](=[O:12])[N:13]([CH:14]1[CH2:15][CH2:16]1)[CH:17]1[CH2:18][CH2:19]1)[cH:10]3)[n:22]([CH3:25])[cH:23][n:24]2)[c:29]1[s:30][c:31]2[c:32]([n:33]1)[cH:34][cH:35][cH:36][cH:37]2