HRID667900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID70211

Acetic acid, oxo-, ethyl ester

C4H6O3

结构：CCc1nc(CCN)cn1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19932979

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1NCCc2nc(CC)n(Cc3ccc(-c4ccccc4-c4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c21

HCID19932986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16e2c098023c4d359382cef605974a15
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:49]([CH:50]=[O:51])(=[O:52])[O:53][CH2:54][CH3:55].[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][CH2:9][NH2:10])[n:7]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:48]>>[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][NH:10][CH:50]2[C:49](=[O:52])[O:53][CH2:54][CH3:55]