HRID696959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2725053

3-bromo-5-chloro-1,2,4-thiadiazole

C2BrClN2S

HCID67344141

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cc2ccccc2)nc(NC2CCN(c3nc(Br)ns3)CC2)n1

HCID53353524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4af1068d639d4c888dfbcb6868bc4661
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

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