HRID126090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID66023

3-Phenylprop-2-enoyl chloride

C9H7ClO

结构：Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1

HCID21101182

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccccc1)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1

HCID69420547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28badd0b247a4fc89a143342d4d7ada4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:58]([N:59]([CH2:60][CH3:61])[CH2:62][CH3:63])[CH3:64].[O:1]1[CH:2]([n:7]2[n:8][c:9](-[c:40]3[cH:41][c:42]([NH2:46])[cH:43][cH:44][cH:45]3)[c:10]3[cH:11][c:12](-[c:16]4[n:17][n:18]([C:21]([c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:19][n:20]4)[cH:13][cH:14][c:15]23)[CH2:3][CH2:4][CH2:5][CH2:6]1.[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[c:47]1([CH:53]=[CH:54][C:55](=[O:56])[Cl:57])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[O:1]1[CH:2]([n:7]2[n:8][c:9](-[c:40]3[cH:41][c:42]([NH:46][C:55]([CH:54]=[CH:53][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)=[O:56])[cH:43][cH:44][cH:45]3)[c:10]3[cH:11][c:12](-[c:16]4[n:17][n:18]([C:21]([c:22]5[cH:23][cH:24][cH:25][cH:26][cH:27]5)([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:19][n:20]4)[cH:13][cH:14][c:15]23)[CH2:3][CH2:4][CH2:5][CH2:6]1