HRID1216215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6329

Methylamine

CH5N

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n1)N(C(C)=O)CC2

HCID59441879

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(C)=O)nc2c1ccn2S(=O)(=O)c1ccc(C)cc1

HCID59442082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57b67b213c8c4967a49ceb2bb973fd1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([O:44][CH3:45])[c:10]([NH:13][c:14]3[n:15][c:16]([NH:33][c:34]4[c:35]([C:36](=[O:37])[NH2:38])[c:39]([F:43])[cH:40][cH:41][cH:42]4)[c:17]4[c:18]([n:19]3)[n:20]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[cH:21][cH:22]4)[cH:11][c:12]21.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:46][NH2:47]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([O:44][CH3:45])[c:10]([NH:13][c:14]3[n:15][c:16]([NH:33][c:34]4[c:35]([C:36](=[O:37])[NH:38][CH3:46])[c:39]([F:43])[cH:40][cH:41][cH:42]4)[c:17]4[c:18]([n:19]3)[n:20]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[cH:21][cH:22]4)[cH:11][c:12]21