HRID679181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID7018020

2,5-Dimethyl-1,3-oxazole-4-carbonyl chloride

C6H6ClNO2

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1)OC(c1ccc(OCC2CCCCC2)cc1)CO3

HCID178499770

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)c1nc(C)oc1C)OC(c1ccc(OCC2CCCCC2)cc1)CO3

HCID178499761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-317899c3cf14471cac1577b3e12b87ea
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

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