1-(2-Hydroxyethyl)piperazine → 1-(Benzo[d][1,3]dioxol-5-yl)-N-(5-((4-(2-hydroxyethyl)piperazin-1-yl)(2-methoxyphenyl)methyl)pyridin-2-yl)cyclopropanecarboxamide

HRID 1126743Notes

Reaction equation

HRID 1126743 reaction equation
[CH3:1][S:2]([O:3][CH:6]([c:7]1[c:8]([O:13][CH3:14])[cH:9][cH:10][cH:11][cH:12]1)[c:15]1[cH:16][n:17][c:18]([NH:21][C:22](=[O:23])[C:24]2([c:27]3[cH:28][c:29]4[c:30]([cH:34][cH:35]3)[O:31][CH2:32][O:33]4)[CH2:25][CH2:26]2)[cH:19][cH:20]1)(=[O:4])=[O:5].[N:36]1([CH2:42][CH2:43][OH:44])[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[O:45]1[c:46]2[cH:47][cH:48][c:49]([C:50]3([C:51]([NH:52][c:53]4[cH:54][cH:55][c:56]([CH:57]([N:58]([CH3:59])[CH3:60])[c:61]5[cH:62][cH:63][cH:64][cH:65][c:66]5[O:67][CH3:68])[cH:69][n:70]4)=[O:71])[CH2:72][CH2:73]3)[cH:74][c:75]2[O:76][CH2:77]1>>[CH:6]([c:7]1[c:8]([O:13][CH3:14])[cH:9][cH:10][cH:11][cH:12]1)([c:15]1[cH:16][n:17][c:18]([NH:21][C:22](=[O:23])[C:24]2([c:27]3[cH:28][c:29]4[c:30]([cH:34][cH:35]3)[O:31][CH2:32][O:33]4)[CH2:25][CH2:26]2)[cH:19][cH:20]1)[N:39]1[CH2:38][CH2:37][N:36]([CH2:42][CH2:43][OH:44])[CH2:41][CH2:40]1

Participants

4

Reactant 3

HCID 76771-(2-Hydroxyethyl)piperazineHCID 442364971-(benzo[d][1,3]dioxol-5-yl)-N-(5-((dimethylamino)(2-methoxyphenyl)methyl)pyridin-2-yl)cyclopropanecarboxamideHCID 57895126(6-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)pyridin-3-yl)(2-methoxyphenyl)methyl methanesulfonate

Product 1

HCID 442365931-(Benzo[d][1,3]dioxol-5-yl)-N-(5-((4-(2-hydroxyethyl)piperazin-1-yl)(2-methoxyphenyl)methyl)pyridin-2-yl)cyclopropanecarboxamide

Sources & evidence

ORD record
ord-83d07d76d71649ffab21250553cd3dd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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