Water → HCID 178431823, compound

HRID 2138805Notes

Reaction equation

HRID 2138805 reaction equation
[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:46].[c:6]1([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[NH:25][CH:26]2[CH:27]3[N:28]([CH:29]([c:34]4[n:35][n:36][n:37][n:38]4[C:39]([O:40][CH2:41][CH3:42])=[O:43])[C:30]([CH3:32])([CH3:33])[S:31]3)[C:44]2=[O:45])[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[c:6]1([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[NH:25][CH:26]2[CH:27]3[N:28]([CH:29]([c:34]4[nH:35][n:36][n:37][n:38]4)[C:30]([CH3:32])([CH3:33])[S:31]3)[C:44]2=[O:45])[cH:7][cH:8][cH:9][cH:10][cH:11]1

Participants

4

Reactant 3

HCID 962WaterHCID 8028TetrahydrofuranHCID 20381256Ethyl 5-[3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazole-1-carboxylate

Product 1

HCID 178431823HCID 178431823, compound

Sources & evidence

ORD record
ord-d32c56ca7f5140e3b8329d9bc825d1a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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