Hydrochloric Acid → [6-(4-Methyl-piperazin-1-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]-(2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone

HRID 201045

반응식

HRID 201045 반응식
[CH3:3][N:4]1[CH2:5][CH2:6][N:7]([CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([C:20](=[O:21])[OH:22])[cH:16][c:17]3[CH2:18][CH2:19]2)[CH2:8][CH2:9]1.[ClH:1].[ClH:2].[NH:23]1[CH:24]([CH2:28][N:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:25][CH2:26][CH2:27]1>>[CH3:3][N:4]1[CH2:5][CH2:6][N:7]([CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([C:20](=[O:22])[N:23]4[CH:24]([CH2:28][N:29]5[CH2:30][CH2:31][CH2:32][CH2:33]5)[CH2:25][CH2:26][CH2:27]4)[cH:16][c:17]3[CH2:18][CH2:19]2)[CH2:8][CH2:9]1

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid2회HCID 1428252-(Pyrrolidin-1-ylmethyl)pyrrolidineHCID 589169866-(4-Methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

생성물 1

HCID 67273459[6-(4-Methyl-piperazin-1-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]-(2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-da90e5ae10bb4b2fb8c5fcc16aed75d9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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