HRID166902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13956993

4-[4-(Diphenylmethyl)piperazin-1-yl]butan-1-amine

C21H29N3

HCID15616549

4-[4-(Diphenylmethylidene)piperidin-1-yl]butan-1-amine

C22H28N2

HCID178422970

未命名化合物

HCID178422987

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(S)c(C(=O)NCCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)cnc2n1

HCID178422986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6941791a6f7744889d3ad1f06b04f037
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[OH:40][c:41]1[c:42]2[c:43]([n:44][c:45]([CH3:46])[cH:47][cH:48]2)[n:49][cH:50][c:51]1[C:52]([OH:53])=[O:54].[SH:1][c:2]1[c:3]([C:13](=[O:14])[OH:15])[cH:4][n:5][c:6]2[n:7][c:8]([CH3:12])[cH:9][cH:10][c:11]12.[c:16]1([CH:22]([N:23]2[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][CH2:31][CH2:32][NH2:33])[CH2:27][CH2:28]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1.[c:55]1([C:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)=[C:63]2[CH2:64][CH2:65][N:66]([CH2:67][CH2:68][CH2:69][CH2:70][NH2:71])[CH2:72][CH2:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[SH:1][c:2]1[c:3]([C:13](=[O:15])[NH:33][CH2:32][CH2:31][CH2:30][CH2:29][N:26]2[CH2:25][CH2:24][N:23]([CH:22]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:28][CH2:27]2)[cH:4][n:5][c:6]2[n:7][c:8]([CH3:12])[cH:9][cH:10][c:11]12