Salicylic Acid → Salicylic Acid

HRID 1230700노트

반응식

HRID 1230700 반응식
[CH3:1][c:2]1[c:3]2[c:8]([c:9]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:10][cH:11]1)[CH2:7][CH:6]([NH:19][C:20]([c:21]1[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:25][cH:26]1)=[O:33])[CH2:5][CH2:4]2.[CH3:44][CH2:45][OH:46].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[OH:43]>>[CH3:1][c:2]1[c:3]2[c:8]([c:9]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:10][cH:11]1)[CH2:7][CH:6]([NH:19][C:20]([c:21]1[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:25][cH:26]1)=[O:33])[CH2:5][CH2:4]2.[O:34]=[C:35]([OH:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[OH:43]

참가 물질

5

반응물 3

HCID 338Salicylic AcidHCID 702EthanolHCID 9828909N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

생성물 2

HCID 338Salicylic AcidHCID 9828909N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

출처 및 근거

ORD 기록
ord-fb0ec2296acf4d308fa1a882bc4b66b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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