HRID138444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C

HCID66620162

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C

HCID66620781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5560eb7cf7074078bd90908945b12328
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

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