HRID690306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

结构：CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

HCID10865273

Trityllosartan

C41H37ClN6O

PRODUCTS

生成物

HCID15698054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-306fdc4db7314fe0bfe2e2347e920159
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

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