Water → HCID 18995646, compound

HRID 1554952Notes

Reaction equation

HRID 1554952 reaction equation
[Br:39][CH2:40][CH2:41][CH2:42][Cl:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[Li:34][CH2:35][CH2:36][CH2:37][CH3:38].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:60].[c:1]1([CH2:7][N:8]([c:9]2[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]3[c:18]2[n:19][c:20]([CH3:26])[n:21]3[CH2:22][O:23][CH2:24][CH3:25])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][N:8]([c:9]2[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]3[c:18]2[n:19][c:20]([CH2:26][CH2:40][CH2:41][CH2:42][Cl:43])[n:21]3[CH2:22][O:23][CH2:24][CH3:25])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 3283Diethyl EtherHCID 80061-Bromo-3-chloropropaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 18995659HCID 18995659, compoundHCID 178418339Butyllithium

Product 1

HCID 18995646HCID 18995646, compound

Sources & evidence

ORD record
ord-3600bf31b25c4d769eab7fc12916735c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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