HRID693668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID96951

2-Acetamido-4-methylthiazole-5-sulphonyl chloride

C6H7ClN2O3S2

结构：O=C1c2c(c(O)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1

HCID136158589

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2c3c(c(OC(c4ccccc4)c4ccccc4)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)s1

HCID60107638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f2bd82ad8e1431f9cffe7a27192ee5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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