HRID172050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID22620747

5,6,7,8-Tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine

C7H10N2S

结构：O=C(O)c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1

HCID58117493

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1)N1CCc2ncsc2CC1

HCID49801980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f849a1d776dc4e0ea0a04ca539cc25cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:49]([F:50])([F:51])([F:52])[F:53].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:1].[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[s:30]1[cH:31][n:32][c:33]2[c:39]1[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]2>>[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:29])[N:36]4[CH2:35][CH2:34][c:33]5[n:32][cH:31][s:30][c:39]5[CH2:38][CH2:37]4)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2