HRID88418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID26255

Tetrafluoroborate

BF4-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2795675

6-chloro-2-(1,4-diazepan-1-yl)-1,3-benzothiazole

C12H14ClN3S

结构：O=C(O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

HCID25131906

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1

HCID9936811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-403793892413427cab59dace32059505
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:70][C:71]([N:72]([CH3:73])[CH3:74])=[O:75].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:32][c:33]1[cH:34][c:35]2[c:36]([n:37][c:38]([N:40]3[CH2:41][CH2:42][NH:43][CH2:44][CH2:45][CH2:46]3)[s:39]2)[cH:47][cH:48]1.[O:49]=[c:50]1[nH:51][n:52][c:53]([CH2:60][c:61]2[cH:62][c:63]([C:64](=[O:65])[OH:66])[cH:67][cH:68][cH:69]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]12.[OH2:76].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[Cl:32][c:33]1[cH:34][c:35]2[c:36]([n:37][c:38]([N:40]3[CH2:41][CH2:42][N:43]([C:64]([c:63]4[cH:62][c:61]([CH2:60][c:53]5[n:52][nH:51][c:50](=[O:49])[c:59]6[c:54]5[cH:55][cH:56][cH:57][cH:58]6)[cH:69][cH:68][cH:67]4)=[O:65])[CH2:44][CH2:45][CH2:46]3)[s:39]2)[cH:47][cH:48]1