HRID1209464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

结构：O=C(OC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(n2cnc3c(NC4CCc5ccccc54)ncnc32)C1F)c1ccccc1

HCID178524596

未命名化合物

PRODUCTS

生成物

结构：O=C(OC1C(CO)OC(n2cnc3c(NC4CCc5ccccc54)ncnc32)C1F)c1ccccc1

HCID178524644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d838c6f0bf148d9aeef30f8cb236a0f
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([CH2:35][O:36][C:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[O:12][CH:13]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH:25][CH:26]4[CH2:27][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]54)[c:22]3[n:23][cH:24]2)[CH:14]1[F:15].[CH:56]([OH:57])=[O:58]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([CH2:35][OH:36])[O:12][CH:13]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH:25][CH:26]4[CH2:27][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]54)[c:22]3[n:23][cH:24]2)[CH:14]1[F:15]