HRID158636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID70749

Benzothiazol-5-amine

C7H6N2S

HCID3280088

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(S(C)(=O)=O)CC4)cnc3F)n2)cc1

HCID66611631

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(S(C)(=O)=O)CC4)cnc3Nc3ccc4scnc4c3)n2)cc1

HCID66611977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e90bfae6662406f89024ea6c2f0f454
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

[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:56][Si:57]([N-:58][Si:59]([CH3:60])([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:1][c:2]1[n:3][cH:4][c:5]([CH2:34][N:35]2[CH2:36][CH2:37][N:38]([S:41](=[O:42])(=[O:43])[CH3:44])[CH2:39][CH2:40]2)[cH:6][c:7]1-[c:8]1[n:9][c:10]([N:15]([CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:11][c:12]([CH3:14])[n:13]1.[Li+:55].[s:45]1[cH:46][n:47][c:48]2[c:49]1[cH:50][cH:51][c:52]([NH2:54])[cH:53]2>>[c:2]1([NH:54][c:52]2[cH:51][cH:50][c:49]3[s:45][cH:46][n:47][c:48]3[cH:53]2)[n:3][cH:4][c:5]([CH2:34][N:35]2[CH2:36][CH2:37][N:38]([S:41](=[O:42])(=[O:43])[CH3:44])[CH2:39][CH2:40]2)[cH:6][c:7]1-[c:8]1[n:9][c:10]([N:15]([CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:11][c:12]([CH3:14])[n:13]1