HRID281737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID2733388

1-(isocyanatomethyl)-4-methylbenzene

C9H9NO

结构：Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

HCID178507748

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(-c4c[nH]c(COc5ccccc5)n4)cc3)cc2)cc1

HCID178425601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e87ef7a32e654660940525720c3e057b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:55]([O:56][CH2:57][CH3:58])(=[O:59])[CH3:60].[CH2:61]([O:62][CH2:63][CH3:64])[CH3:65].[CH3:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][N:34]=[C:35]=[O:36])[cH:37][cH:38]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH:51]([OH:52])([CH3:53])[CH3:54].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1.[OH2:39]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:23][C:35]([NH:34][CH2:33][c:32]4[cH:31][cH:30][c:29]([CH3:28])[cH:38][cH:37]4)=[O:36])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1