HRID104988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID594590

1H-Indole, 4-(1-piperazinyl)-

C12H15N3

HCID4546342

2-tert-Butoxycarbonylamino-3-pyridin-2-yl-propionic acid

C13H18N2O4

结构：NC(Cc1ccccn1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1

HCID22048010

未命名化合物

PRODUCTS

生成物

结构：O=CNC(Cc1ccccn1)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1

HCID21034585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa1cbaf8025647d1add7b3c89574185a
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

[C:52]([O:53][C:54]([NH:55][CH:56]([CH2:57][c:58]1[cH:59][cH:60][cH:61][cH:62][n:63]1)[C:64]([OH:65])=[O:66])=[O:67])([CH3:68])([CH3:69])[CH3:70].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:4][C:5]([O:6][C:7](=[O:8])[CH3:9])=[O:10].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH:1](=[O:2])[OH:3].[N:37]1([c:38]2[cH:39][cH:40][cH:41][c:42]3[c:43]2[cH:44][cH:45][nH:46]3)[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[nH:11]1[cH:12][cH:13][c:14]2[c:15]([N:20]3[CH2:21][CH2:22][N:23]([C:26]([CH:27]([CH2:28][c:29]4[n:30][cH:31][cH:32][cH:33][cH:34]4)[NH2:35])=[O:36])[CH2:24][CH2:25]3)[cH:16][cH:17][cH:18][c:19]12>>[CH:1](=[O:2])[NH:35][CH:27]([C:26]([N:23]1[CH2:22][CH2:21][N:20]([c:15]2[c:14]3[cH:13][cH:12][nH:11][c:19]3[cH:18][cH:17][cH:16]2)[CH2:25][CH2:24]1)=[O:36])[CH2:28][c:29]1[n:30][cH:31][cH:32][cH:33][cH:34]1