Methanol → 3-Chloro-12-cyclohexyl-5-[2-(piperidin-1-yl)ethyl]-5,6,7,12-tetrahydro-benzo[2,3]azepino[4,5-b]indole-9-carboxylic acid

HRID 143502Notes

Reaction equation

HRID 143502 reaction equation
[CH3:49][OH:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:38]1)[N:7]([CH2:30][CH2:31][N:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1)[CH2:8][CH2:9][c:10]1[c:11]-2[n:12]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:13]2[cH:14][cH:15][c:16]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:17][c:18]12.[Li+:41].[Na+:40].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:39].[OH-:42].[OH2:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:38]1)[N:7]([CH2:30][CH2:31][N:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1)[CH2:8][CH2:9][c:10]1[c:11]-2[n:12]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:13]2[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17][c:18]12

Participants

8

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 961Hydroxide2×HCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 23152627HCID 23152627, compound

Product 1

HCID 231523053-Chloro-12-cyclohexyl-5-[2-(piperidin-1-yl)ethyl]-5,6,7,12-tetrahydro-benzo[2,3]azepino[4,5-b]indole-9-carboxylic acid

Sources & evidence

ORD record
ord-b7791bc801294436a7d564c40c8506e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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