HRID1216133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(O)c1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncnn2c1CN1CCOCC1

HCID57955308

未命名化合物

PRODUCTS

生成物

HCID57955170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c30e1c8922a458e95ba1af81faf0f86
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

[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:53][S:54]([CH3:55])=[O:56].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:21]1[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[n:32][cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]3)[cH:25][cH:26]1)[c:9]([CH:18]([CH3:19])[OH:20])[c:10]2[CH2:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1.[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[OH2:52]>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:21]1[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[n:32][cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]3)[cH:25][cH:26]1)[c:9]([C:18]([CH3:19])=[O:20])[c:10]2[CH2:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1