HRID951820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID123445

1-Aminoindan

C9H11N

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

HCID18516766

未命名化合物

PRODUCTS

生成物

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

HCID178524596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f7e7e3ed2174613969958489d804676
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

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]([CH2:26][O:27][C:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[O:12][CH:13]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([Cl:25])[c:22]3[n:23][cH:24]2)[CH:14]1[F:15].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][CH2:65][OH:66].[NH2:47][CH:48]1[CH2:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]21>>[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]([CH2:26][O:27][C:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[O:12][CH:13]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH:47][CH:48]4[CH2:49][CH2:50][c:51]5[cH:52][cH:53][cH:54][cH:55][c:56]54)[c:22]3[n:23][cH:24]2)[CH:14]1[F:15]